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

Details

Stereochemistry MIXED
Molecular Formula C10H17NO2
Molecular Weight 183.2475
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHYL 2-CYANO-2-ETHYL-3-METHYLVALERATE

SMILES

CCC(C)C(CC)(C#N)C(=O)OC

InChI

InChIKey=ACADKHGAMCGGHY-UHFFFAOYSA-N
InChI=1S/C10H17NO2/c1-5-8(3)10(6-2,7-11)9(12)13-4/h8H,5-6H2,1-4H3

HIDE SMILES / InChI

Molecular Formula C10H17NO2
Molecular Weight 183.2475
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:29:36 GMT 2023
Edited
by admin
on Sat Dec 16 18:29:36 GMT 2023
Record UNII
HU5ZGD55DV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
METHYL 2-CYANO-2-ETHYL-3-METHYLVALERATE
Systematic Name English
PENTANOIC ACID, 2-CYANO-2-ETHYL-3-METHYL-, METHYL ESTER
Common Name English
METHYL 2-CYANO-2-ETHYL-3-METHYLPENTANOATE
Systematic Name English
Code System Code Type Description
CAS
71735-23-4
Created by admin on Sat Dec 16 18:29:36 GMT 2023 , Edited by admin on Sat Dec 16 18:29:36 GMT 2023
PRIMARY
FDA UNII
HU5ZGD55DV
Created by admin on Sat Dec 16 18:29:36 GMT 2023 , Edited by admin on Sat Dec 16 18:29:36 GMT 2023
PRIMARY
EPA CompTox
DTXSID20992357
Created by admin on Sat Dec 16 18:29:36 GMT 2023 , Edited by admin on Sat Dec 16 18:29:36 GMT 2023
PRIMARY
PUBCHEM
3018252
Created by admin on Sat Dec 16 18:29:36 GMT 2023 , Edited by admin on Sat Dec 16 18:29:36 GMT 2023
PRIMARY