5,5,14,14-Tetrabutyl-7,12-dioxo-6,13-dioxa-5,14-distannaoctadecane (CED0147156)

Record Information

Version

1.0

Creation Date

2026-04-04 21:34:28 UTC

Update Date

2026-04-04 21:34:28 UTC

Accession Number

CHEM082325

Identification

Common Name

5,5,14,14-Tetrabutyl-7,12-dioxo-6,13-dioxa-5,14-distannaoctadecane

Class

Small Molecule

Description

5,5,14,14-Tetrabutyl-7,12-dioxo-6,13-dioxa-5,14-distannaoctadecane belongs to the fatty acids and conjugates, a subclass of fatty acyls within the organic compounds. It has the chemical formula C30H62O4Sn2. With an average molecular weight of 724.24 g/mol, 5,5,14,14-Tetrabutyl-7,12-dioxo-6,13-dioxa-5,14-distannaoctadecane is a heavy molecule. It is classified as a lipid and lipid-like molecule.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₃₀H₆₂O₄Sn₂

Average Molecular Mass

724.242 g/mol

Monoisotopic Mass

726.269 g/mol

CAS Registry Number

Not Available

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

CCCC[Sn](CCCC)(CCCC)OC(=O)CCCCC(=O)O[Sn](CCCC)(CCCC)CCCC

InChI Identifier

InChI=1/C6H10O4.6C4H9.2Sn/c7-5(8)3-1-2-4-6(9)10;6*1-3-4-2;;/h1-4H2,(H,7,8)(H,9,10);6*1,3-4H2,2H3;;/q;;;;;;;2*+1/p-2/rC30H62O4Sn2/c1-7-13-23-35(24-14-8-2,25-15-9-3)33-29(31)21-19-20-22-30(32)34-36(26-16-10-4,27-17-11-5)28-18-12-6/h7-28H2,1-6H3

InChI Key

PLWUYEKZZZRFPA-UHFFFAOYSA-L

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

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Toxicity Values

Toxicity Value	Unit	Value Range	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Reference
6107.0	Log mg/kg	[3400:11000]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
10	Insecticides	Agriculture & land management	Not Available
596	Acaricides	Agriculture & land management	Not Available
600	Herbicides And Algicides	Agriculture & land management	Not Available
602	Molluscicides	Agriculture & land management	Not Available
603	Nematocides	Agriculture & land management	Not Available
604	Pest Attractants	Agriculture & land management	Not Available
605	Pest Repellants	Agriculture & land management	Not Available
606	Plant Growth Regulators	Agriculture & land management	Not Available
607	Rodenticides(1)	Agriculture & land management	Not Available
608	Rodenticides	Agriculture & land management	Not Available
744	Water, Wastewater, & Sewage Treatment	Wastewater, sanitation & biosolids	Not Available

Pathways

0 pathways

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	Tyrosine-protein phosphatase non-receptor type 1	P18031	Humans	Predicted (SEA)	25.9238
Click to view 3D structure	Peroxisome proliferator-activated receptor alpha	Q07869	Humans	Predicted (SEA)	37.5233
Click to view 3D structure	Transient receptor potential cation channel subfamily V member 2	Q9WUD2	Rattus norvegicus	Predicted (SEA)	11.4438
Click to view 3D structure	Peroxisome proliferator-activated receptor delta	Q03181	Humans	Predicted (SEA)	36.9005
Click to view 3D structure	Mitochondrial carnitine/acylcarnitine carrier protein	O43772	Humans	Predicted (SEA)	1.55698
Click to view 3D structure	CAI-1 autoinducer sensor kinase/phosphatase CqsS	Q9KM66	Vibrio cholerae serotype O1 (strain ATCC 39315 / El Tor Inaba N16961)	Predicted (SEA)	2.64687
Click to view 3D structure	Peroxisome proliferator-activated receptor gamma	P37231	Humans	Predicted (SEA)	92.6406
Click to view 3D structure	Autotaxin	Q13822	Humans	Predicted (SEA)	11.4438
Click to view 3D structure	Lysophosphatidic acid receptor 3	Q9UBY5	Humans	Predicted (SEA)	8.87481
Click to view 3D structure	Lysophosphatidic acid receptor 1	Q92633	Humans	Predicted (SEA)	9.6533
Click to view 3D structure	Fatty-acid amide hydrolase 1	O00519	Humans	Predicted (SEA)	104.863
Click to view 3D structure	Lysophosphatidic acid receptor 2	Q9HBW0	Humans	Predicted (SEA)	8.40772
Click to view 3D structure	G-protein coupled receptor 84	Q9NQS5	Humans	Predicted (SEA)	8.09632
Click to view 3D structure	Acidic phospholipase A2 CM-I	P00602	Naja mossambica	Predicted (SEA)	14.8692
Click to view 3D structure	DNA-directed DNA/RNA polymerase mu	Q9NP87	Humans	Predicted (SEA)	4.12601
Click to view 3D structure	DNA nucleotidylexotransferase	P06526	Bos taurus	Predicted (SEA)	4.12601
Click to view 3D structure	Histone deacetylase 11	Q96DB2	Humans	Predicted (SEA)	164.495
Click to view 3D structure	Cocaine esterase	O00748	Humans	Predicted (SEA)	7.47353
Click to view 3D structure	Lysophosphatidic acid receptor 4	Q8BLG2	Mus musculus	Predicted (SEA)	7.47353
Click to view 3D structure	Cytochrome P450 2C23	P24470	Rattus norvegicus	Predicted (SEA)	1.40129
Click to view 3D structure	Cannabinoid receptor 1	P20272	Rattus norvegicus	Predicted (SEA)	64.3813
Click to view 3D structure	DNA polymerase iota	Q6R3M4	Mus musculus	Predicted (SEA)	6.77288
Click to view 3D structure	Fatty-acid amide hydrolase 1	P97612	Rattus norvegicus	Predicted (SEA)	126.427
Click to view 3D structure	Juvenile hormone esterase	Q9GPG0	Manduca sexta	Predicted (SEA)	3.58106
Click to view 3D structure	Cannabinoid receptor 1	P21554	Humans	Predicted (SEA)	331.949