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 Diethyl isopentylmalonate

SMILES

CCOC(=O)C(CCC(C)C)C(=O)OCC

InChI

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

HIDE SMILES / InChI

Approval Year

Name Type Language
Diethyl isopentylmalonate
Systematic Name English
Diethyl isoamylmalonate
Systematic Name English
1,3-Diethyl 2-(3-methylbutyl)propanedioate
Systematic Name English
Propanedioic acid, 2-(3-methylbutyl)-, 1,3-diethyl ester
Systematic Name English
Propanedioic acid, (3-methylbutyl)-, diethyl ester
Systematic Name English
(3-Methylbutyl)propanedioic acid diethyl ester
Systematic Name English
Diethyl 2-isopentylmalonate
Systematic Name English
NSC-4569
Code English
Diethyl 3-methylbutylmalonate
Systematic Name English
Malonic acid, isopentyl-, diethyl ester
Systematic Name English
Code System Code Type Description
FDA UNII
UT8QT93GZ5
Created by admin on Sat Dec 16 12:18:18 GMT 2023 , Edited by admin on Sat Dec 16 12:18:18 GMT 2023
PRIMARY
PUBCHEM
79384
Created by admin on Sat Dec 16 12:18:18 GMT 2023 , Edited by admin on Sat Dec 16 12:18:18 GMT 2023
PRIMARY
ECHA (EC/EINECS)
226-424-8
Created by admin on Sat Dec 16 12:18:18 GMT 2023 , Edited by admin on Sat Dec 16 12:18:18 GMT 2023
PRIMARY
EPA CompTox
DTXSID20202281
Created by admin on Sat Dec 16 12:18:18 GMT 2023 , Edited by admin on Sat Dec 16 12:18:18 GMT 2023
PRIMARY
CAS
5398-08-3
Created by admin on Sat Dec 16 12:18:18 GMT 2023 , Edited by admin on Sat Dec 16 12:18:18 GMT 2023
PRIMARY
NSC
4569
Created by admin on Sat Dec 16 12:18:18 GMT 2023 , Edited by admin on Sat Dec 16 12:18:18 GMT 2023
PRIMARY