U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C12H22O4
Molecular Weight 230.3007
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Diisopentyl oxalate

SMILES

CC(C)CCOC(=O)C(=O)OCCC(C)C

InChI

InChIKey=HCUOPEBHVAVNIE-UHFFFAOYSA-N
InChI=1S/C12H22O4/c1-9(2)5-7-15-11(13)12(14)16-8-6-10(3)4/h9-10H,5-8H2,1-4H3

HIDE SMILES / InChI

Approval Year

Name Type Language
Diisopentyl oxalate
Systematic Name English
AI3-06013
Code English
Ethanedioic acid, bis(3-methylbutyl) ester
Systematic Name English
NSC-7954
Code English
Code System Code Type Description
ECHA (EC/EINECS)
218-112-5
Created by admin on Sat Dec 16 13:14:21 GMT 2023 , Edited by admin on Sat Dec 16 13:14:21 GMT 2023
PRIMARY
CAS
2051-00-5
Created by admin on Sat Dec 16 13:14:21 GMT 2023 , Edited by admin on Sat Dec 16 13:14:21 GMT 2023
PRIMARY
FDA UNII
BM57JQK7X6
Created by admin on Sat Dec 16 13:14:21 GMT 2023 , Edited by admin on Sat Dec 16 13:14:21 GMT 2023
PRIMARY
EPA CompTox
DTXSID30174506
Created by admin on Sat Dec 16 13:14:21 GMT 2023 , Edited by admin on Sat Dec 16 13:14:21 GMT 2023
PRIMARY
PUBCHEM
74914
Created by admin on Sat Dec 16 13:14:21 GMT 2023 , Edited by admin on Sat Dec 16 13:14:21 GMT 2023
PRIMARY
NSC
7954
Created by admin on Sat Dec 16 13:14:21 GMT 2023 , Edited by admin on Sat Dec 16 13:14:21 GMT 2023
PRIMARY