(E)-2-methylhex-3-ene (CED0106373)

Record Information

Version

1.0

Creation Date

2026-04-04 19:03:11 UTC

Update Date

2026-04-04 19:03:11 UTC

SynCED ID

CED0106373

Secondary Accession Numbers

CHEM078655

Identification

Common Name

(E)-2-methylhex-3-ene

Class

Small Molecule

Description

(E)-2-methylhex-3-ene belongs to the unsaturated aliphatic hydrocarbons, a subclass of unsaturated hydrocarbons within the organic compounds. This compound has the chemical formula C7H14 and an average molecular weight of 98.19 g/mol.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₇H₁₄

Average Molecular Mass

98.189 g/mol

Monoisotopic Mass

98.110 g/mol

CAS Registry Number

692-24-0

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

CCC=CC(C)C

InChI Identifier

InChI=1/C7H14/c1-4-5-6-7(2)3/h5-7H,4H2,1-3H3

InChI Key

IQANHWBWTVLDTP-AATRIKPKSA-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
2888.0 Log mg/kg [1600:5100]	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
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
CEDs000580	Manufacture Preparation Of Tobacco Products?The manufacture and preparation of tobacco products involve various processes that can result in the introduction of synthetic chemicals into the environment.	Industrial manufacturing & chemical processing	PubChem
CEDs000614	Essential Oils Or Perfumes?Essential oils and perfumes are complex mixtures of volatile compounds derived from natural or synthetic sources, commonly used for their aromatic properties.	Personal care & cosmetics	PubChem
CEDs000632	Apparel?Apparel production often involves the use of various synthetic chemicals, including dyes, finishing agents, and preservatives.	Textiles, leather & furnishings	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
CEDs000712	Combination Pens?Combination pens, which typically contain both ink and additional functionalities such as highlighters or stylus tips, may contribute to synthetic chemical contamination primarily through their ink formulations and plastic components.	Paper, pulp & fiber products	PubChem
CEDs000716	Erasers?Erasers, commonly used in writing and drawing applications, are often made from synthetic rubber or thermoplastic materials, which can contain various additives such as plasticizers, fillers, and colorants.	Paper, pulp & fiber products	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
CEDs000740	Paper?Paper production involves the processing of wood fibers and the use of various chemicals, which can lead to synthetic chemical contamination.	Paper, pulp & fiber products	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	Seed linoleate 9S-lipoxygenase	P24095	Glycine max	Predicted (SEA)	Prediction Confidence Score 0.25 Applicability Domain 0.25 Low confidence Statistical Significance 3.00e-04 Supporting Reference Compounds 1 E-value 2.33548
Click to view 3D structure	Esterase	A3QR02	Chilo suppressalis	Predicted (SEA)	Prediction Confidence Score 0.206 Applicability Domain 0.206 Low confidence Statistical Significance 0.0015 Supporting Reference Compounds 1 E-value 11.6774
Click to view 3D structure	Peroxisome proliferator-activated receptor gamma	P37231	Humans	Predicted (SEA)	Prediction Confidence Score 0.19 Applicability Domain 0.226 Low confidence Statistical Significance 0.6164 Supporting Reference Compounds 192 E-value 4798.7
Click to view 3D structure	Peroxisome proliferator-activated receptor alpha	Q07869	Humans	Predicted (SEA)	Prediction Confidence Score 0.179 Applicability Domain 0.226 Low confidence Statistical Significance 0.638 Supporting Reference Compounds 127 E-value 4966.47
Click to view 3D structure	Oxoeicosanoid receptor 1	Q8TDS5	Humans	Predicted (SEA)	Prediction Confidence Score 0.174 Applicability Domain 0.241 Low confidence Statistical Significance 0.0073 Supporting Reference Compounds 4 E-value 56.9078
Click to view 3D structure	Sodium-dependent serotonin transporter	P31652	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.167 Applicability Domain 0.188 Low confidence Statistical Significance 0.8589 Supporting Reference Compounds 297 E-value 6686.7
Click to view 3D structure	Cannabinoid receptor 2	P47936	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.167 Applicability Domain 0.175 Low confidence Statistical Significance 0.3869 Supporting Reference Compounds 39 E-value 3011.68
Click to view 3D structure	Peroxisome proliferator-activated receptor delta	Q03181	Humans	Predicted (SEA)	Prediction Confidence Score 0.166 Applicability Domain 0.226 Low confidence Statistical Significance 0.7457 Supporting Reference Compounds 89 E-value 5805.37
Click to view 3D structure	Cannabinoid receptor 2	P34972	Humans	Predicted (SEA)	Prediction Confidence Score 0.165 Applicability Domain 0.204 Low confidence Statistical Significance 0.904 Supporting Reference Compounds 175 E-value 7037.8
Click to view 3D structure	Prostaglandin G/H synthase 2	P79208	Ovis aries	Predicted (SEA)	Prediction Confidence Score 0.164 Applicability Domain 0.241 Low confidence Statistical Significance 0.4671 Supporting Reference Compounds 50 E-value 3636.1
Click to view 3D structure	Cannabinoid receptor 1	P21554	Humans	Predicted (SEA)	Prediction Confidence Score 0.163 Applicability Domain 0.204 Low confidence Statistical Significance 0.9294 Supporting Reference Compounds 200 E-value 7235.62
Click to view 3D structure	Retinoic acid receptor RXR-alpha	P19793	Humans	Predicted (SEA)	Prediction Confidence Score 0.162 Applicability Domain 0.241 Low confidence Statistical Significance 0.669 Supporting Reference Compounds 82 E-value 5208.27
Click to view 3D structure	Cannabinoid receptor 1	P20272	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.161 Applicability Domain 0.171 Low confidence Statistical Significance 0.6738 Supporting Reference Compounds 83 E-value 5245.4
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P28223	Humans	Predicted (SEA)	Prediction Confidence Score 0.159 Applicability Domain 0.188 Low confidence Statistical Significance 0.9861 Supporting Reference Compounds 955 E-value 7677.1
Click to view 3D structure	Cannabinoid receptor 1	P47746	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.159 Applicability Domain 0.175 Low confidence Statistical Significance 0.4628 Supporting Reference Compounds 42 E-value 3602.55
Click to view 3D structure	Leucine aminopeptidase	Q29571	Sus scrofa	Predicted (SEA)	Prediction Confidence Score 0.154 Applicability Domain 0.154 Low confidence Statistical Significance 0.0013 Supporting Reference Compounds 1 E-value 10.5096
Click to view 3D structure	Prostaglandin G/H synthase 1	P23219	Humans	Predicted (SEA)	Prediction Confidence Score 0.153 Applicability Domain 0.212 Low confidence Statistical Significance 0.8988 Supporting Reference Compounds 136 E-value 6997.48
Click to view 3D structure	Sodium-dependent dopamine transporter	P23977	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.153 Applicability Domain 0.188 Low confidence Statistical Significance 0.861 Supporting Reference Compounds 203 E-value 6703.05
Click to view 3D structure	Amine oxidase [flavin-containing] A	P21396	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.149 Applicability Domain 0.156 Low confidence Statistical Significance 0.8106 Supporting Reference Compounds 66 E-value 6310.3
Click to view 3D structure	5-hydroxytryptamine receptor 2B	P30994	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.147 Applicability Domain 0.156 Low confidence Statistical Significance 0.7172 Supporting Reference Compounds 40 E-value 5583.11
Click to view 3D structure	5-hydroxytryptamine receptor 2C	P08909	Rat	Predicted (SEA)	Prediction Confidence Score 0.144 Applicability Domain 0.152 Low confidence Statistical Significance 0.9513 Supporting Reference Compounds 185 E-value 7405.95
Click to view 3D structure	Fatty-acid amide hydrolase 1	O08914	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.144 Applicability Domain 0.156 Low confidence Statistical Significance 0.7664 Supporting Reference Compounds 46 E-value 5966.6
Click to view 3D structure	Fatty-acid amide hydrolase 1	O00519	Humans	Predicted (SEA)	Prediction Confidence Score 0.143 Applicability Domain 0.156 Low confidence Statistical Significance 0.9493 Supporting Reference Compounds 106 E-value 7390.62
Click to view 3D structure	All-trans-retinol dehydrogenase [NAD(+)] ADH7	P40394	Humans	Predicted (SEA)	Prediction Confidence Score 0.143 Applicability Domain 0.143 Low confidence Statistical Significance 0.0142 Supporting Reference Compounds 1 E-value 110.857
Click to view 3D structure	Transient receptor potential cation channel subfamily V member 1	Q8NER1	Humans	Predicted (SEA)	Prediction Confidence Score 0.143 Applicability Domain 0.204 Low confidence Statistical Significance 0.9624 Supporting Reference Compounds 104 E-value 7492.52