(Isocyanatomethyl)(dimethoxy)methylsilane (CED0118073)

Record Information

Version

1.0

Creation Date

2026-04-06 16:08:58 UTC

Update Date

2026-08-22 20:38:35 UTC

SynCED ID

CED0118073

Secondary Accession Numbers

CHEM126807

Identification

Common Name

(Isocyanatomethyl)(dimethoxy)methylsilane

Class

Small Molecule

Description

(Isocyanatomethyl)(dimethoxy)methylsilane belongs to the organosilicon compounds, a subclass of organometalloid compounds within the organic compounds. This compound has the chemical formula C5H11NO3Si and an average molecular weight of 161.23 g/mol. It is categorized as an organometallic compound. Regarding its occurrence, (isocyanatomethyl)(dimethoxy)methylsilane is found in or released from one recorded source: Building & Construction (Floors).

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₅H₁₁NO₃Si

Average Molecular Mass

161.232 g/mol

Monoisotopic Mass

161.051 g/mol

CAS Registry Number

406679-89-8

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C5H11NO3Si/c1-8-10(3,9-2)5-6-4-7/h5H2,1-3H3

InChI Key

HENJUOQEQGBPSV-UHFFFAOYSA-N

Chemical Taxonomy

Classification

Not classified

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Not Available

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
1024.0 Log mg/kg [580:1800]	Rat	LD50	oral	predicted	Not Available	Not Available

Toxicity / Toxin Class

Not Available

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Health Effects

Health Effect	Relationship	Direction	Description	Reference

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000497	Floors?Floors in built environments can be a significant source of synthetic chemical contamination due to the materials and finishes used in their construction.	Building & Construction	PubChem
CEDs000511	Conductors Or Conductive Bodies Characterised By The Conductive Materials?Conductors, or conductive bodies, are materials that allow the flow of electrical current, typically made from metals such as copper, aluminum, or silver.	Electrical & Electronic Equipment	PubChem
CEDs000519	Electrodes?Electrodes, used in various electrical and electronic applications, can be a source of synthetic chemical contamination due to the materials from which they are constructed and the processes involved in their manufacturing.	Electrical & Electronic Equipment	PubChem
CEDs000521	Fixed Capacitors And Their Manufacture?Fixed capacitors are passive electronic components used to store and release electrical energy, playing a critical role in various circuits.	Electrical & Electronic Equipment	PubChem
CEDs000615	Eye Makeup Products?Eye makeup products, including mascaras, eyeliners, and eyeshadows, often contain a variety of synthetic chemicals such as pigments, preservatives, and film-forming agents.	Personal care & cosmetics	PubChem
CEDs000618	Lip Makeup Products?Lip makeup products, such as lipsticks, lip glosses, and lip liners, often contain a variety of synthetic chemicals, including pigments, preservatives, and emollients.	Personal care & cosmetics	PubChem
CEDs000685	Ceramics?Ceramics can be a source of synthetic chemical contamination through various additives and processing agents used in their production.	Building & Construction	PubChem
CEDs000686	Clay Wares?Clay wares are ceramic products made from natural clay, often utilized in various construction applications such as tiles, bricks, and sanitary ware.	Building & Construction	PubChem
CEDs000688	Glass Coatings?Glass coatings are synthetic chemical formulations applied to glass surfaces to enhance properties such as durability, UV resistance, and aesthetic appeal.	Building & Construction	PubChem
CEDs000693	Silica Glass?Silica glass, primarily composed of silicon dioxide (SiO2), is widely used in various applications, including windows, glass facades, and insulation materials.	Building & Construction	PubChem
CEDs000696	Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.	Industrial manufacturing & chemical processing	PubChem
CEDs000738	Cooling Circuit Water?Cooling circuit water is utilized in various industrial processes to absorb and dissipate heat generated during operations.	Industrial manufacturing & chemical processing	PubChem
CEDs000739	Inks?Inks are complex mixtures composed of pigments or dyes, solvents, resins, and additives used primarily for printing and writing applications.	Paper, pulp & fiber products	PubChem
CEDs000741	Pigment Pastes?Pigment pastes are concentrated dispersions of pigments used to impart color and properties to materials.	Paper, pulp & fiber products	PubChem
CEDs000744	Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.	Wastewater, sanitation & biosolids	PubChem

Pathways

0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Proline iminopeptidase	O32449	Serratia marcescens	Predicted (SEA)	Prediction Confidence Score 0.146 Applicability Domain 0.146 Low confidence Statistical Significance 0.0287 Supporting Reference Compounds 1 E-value 223.349
Click to view 3D structure	Muscarinic acetylcholine receptor M5	P08912	Humans	Predicted (SEA)	Prediction Confidence Score 0.138 Applicability Domain 0.147 Low confidence Statistical Significance 0.9914 Supporting Reference Compounds 266 E-value 7717.89
Click to view 3D structure	Muscarinic acetylcholine receptor M1	P11229	Humans	Predicted (SEA)	Prediction Confidence Score 0.137 Applicability Domain 0.147 Low confidence Statistical Significance 0.995 Supporting Reference Compounds 385 E-value 7745.76
Click to view 3D structure	Cytochrome P450 2C19	P33261	Humans	Predicted (SEA)	Prediction Confidence Score 0.135 Applicability Domain 0.14 Low confidence Statistical Significance 0.9979 Supporting Reference Compounds 825 E-value 7768.81
Click to view 3D structure	Muscarinic acetylcholine receptor M3	P20309	Humans	Predicted (SEA)	Prediction Confidence Score 0.135 Applicability Domain 0.147 Low confidence Statistical Significance 0.9954 Supporting Reference Compounds 310 E-value 7749.19
Click to view 3D structure	Carbonic anhydrase 14	Q9ULX7	Humans	Predicted (SEA)	Prediction Confidence Score 0.134 Applicability Domain 0.139 Low confidence Statistical Significance 0.959 Supporting Reference Compounds 172 E-value 7466.13
Click to view 3D structure	Muscarinic acetylcholine receptor M2	P08172	Humans	Predicted (SEA)	Prediction Confidence Score 0.134 Applicability Domain 0.147 Low confidence Statistical Significance 0.9964 Supporting Reference Compounds 373 E-value 7756.58
Click to view 3D structure	Macrophage migration inhibitory factor	P14174	Humans	Predicted (SEA)	Prediction Confidence Score 0.132 Applicability Domain 0.14 Low confidence Statistical Significance 0.8052 Supporting Reference Compounds 36 E-value 6268.19
Click to view 3D structure	Cytochrome P450 2C9	P11712	Humans	Predicted (SEA)	Prediction Confidence Score 0.131 Applicability Domain 0.136 Low confidence Statistical Significance 0.9988 Supporting Reference Compounds 1245 E-value 7775.97
Click to view 3D structure	Cytochrome P450 1A2	P05177	Humans	Predicted (SEA)	Prediction Confidence Score 0.131 Applicability Domain 0.14 Low confidence Statistical Significance 0.9982 Supporting Reference Compounds 793 E-value 7770.6
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	Prediction Confidence Score 0.131 Applicability Domain 0.139 Low confidence Statistical Significance 0.9931 Supporting Reference Compounds 372 E-value 7731.6
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	Prediction Confidence Score 0.131 Applicability Domain 0.139 Low confidence Statistical Significance 0.9905 Supporting Reference Compounds 332 E-value 7711.12
Click to view 3D structure	Carbonic anhydrase 7	P43166	Humans	Predicted (SEA)	Prediction Confidence Score 0.131 Applicability Domain 0.139 Low confidence Statistical Significance 0.9851 Supporting Reference Compounds 242 E-value 7668.93
Click to view 3D structure	Histidine decarboxylase	P16453	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.13 Applicability Domain 0.13 Low confidence Statistical Significance 0.2907 Supporting Reference Compounds 1 E-value 2262.77
Click to view 3D structure	Carbonic anhydrase 5B, mitochondrial	Q9Y2D0	Humans	Predicted (SEA)	Prediction Confidence Score 0.13 Applicability Domain 0.139 Low confidence Statistical Significance 0.9645 Supporting Reference Compounds 157 E-value 7508.87
Click to view 3D structure	Carbonic anhydrase 13	Q9D6N1	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.13 Applicability Domain 0.139 Low confidence Statistical Significance 0.883 Supporting Reference Compounds 70 E-value 6873.77
Click to view 3D structure	Muscarinic acetylcholine receptor M4	P08173	Humans	Predicted (SEA)	Prediction Confidence Score 0.129 Applicability Domain 0.147 Low confidence Statistical Significance 0.9965 Supporting Reference Compounds 297 E-value 7757.75
Click to view 3D structure	NACHT, LRR and PYD domains-containing protein 3	Q96P20	Humans	Predicted (SEA)	Prediction Confidence Score 0.128 Applicability Domain 0.154 Low confidence Statistical Significance 0.9597 Supporting Reference Compounds 51 E-value 7471.58
Click to view 3D structure	4-hydroxy-3-methylbut-2-enyl diphosphate reductase	O67625	Aquifex aeolicus (strain VF5)	Predicted (SEA)	Prediction Confidence Score 0.128 Applicability Domain 0.128 Low confidence Statistical Significance 0.0028 Supporting Reference Compounds 1 E-value 21.4864
Click to view 3D structure	Aromatase	P11511	Humans	Predicted (SEA)	Prediction Confidence Score 0.128 Applicability Domain 0.14 Low confidence Statistical Significance 0.9732 Supporting Reference Compounds 127 E-value 7575.97
Click to view 3D structure	Carbonic anhydrase 6	P23280	Humans	Predicted (SEA)	Prediction Confidence Score 0.128 Applicability Domain 0.139 Low confidence Statistical Significance 0.9786 Supporting Reference Compounds 151 E-value 7618.71
Click to view 3D structure	Cytochrome P450 2D6	P10635	Humans	Predicted (SEA)	Prediction Confidence Score 0.127 Applicability Domain 0.133 Low confidence Statistical Significance 0.9991 Supporting Reference Compounds 1130 E-value 7778.15
Click to view 3D structure	Capsid scaffolding protein	P10210	Herpes simplex virus (type 1 / strain 17)	Predicted (SEA)	Prediction Confidence Score 0.127 Applicability Domain 0.131 Low confidence Statistical Significance 0.4424 Supporting Reference Compounds 2 E-value 3444.05
Click to view 3D structure	Carbonic anhydrase 15	Q99N23	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.127 Applicability Domain 0.133 Low confidence Statistical Significance 0.9363 Supporting Reference Compounds 78 E-value 7288.87
Click to view 3D structure	Voltage-gated inwardly rectifying potassium channel KCNH2	Q12809	Humans	Predicted (SEA)	Prediction Confidence Score 0.126 Applicability Domain 0.132 Low confidence Statistical Significance 0.9992 Supporting Reference Compounds 1498 E-value 7779.01