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

Details

Stereochemistry ACHIRAL
Molecular Formula C12H24O2
Molecular Weight 200.3178
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HEPTYL VALERATE

SMILES

CCCCCCCOC(=O)CCCC

InChI

InChIKey=YJARPRLGQQFGOI-UHFFFAOYSA-N
InChI=1S/C12H24O2/c1-3-5-7-8-9-11-14-12(13)10-6-4-2/h3-11H2,1-2H3

HIDE SMILES / InChI

Approval Year

Name Type Language
HEPTYL VALERATE
Common Name English
39840N
Common Name English
VALERIC ACID, HEPTYL ESTER
Common Name English
ENT-30517
Code English
PENTANOIC ACID, HEPTYL ESTER
Common Name English
NSC-21862
Code English
HEPTYL PENTANOATE
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID2063898
Created by admin on Sat Dec 16 14:02:17 GMT 2023 , Edited by admin on Sat Dec 16 14:02:17 GMT 2023
PRIMARY
CAS
5451-80-9
Created by admin on Sat Dec 16 14:02:17 GMT 2023 , Edited by admin on Sat Dec 16 14:02:17 GMT 2023
PRIMARY
NSC
21862
Created by admin on Sat Dec 16 14:02:17 GMT 2023 , Edited by admin on Sat Dec 16 14:02:17 GMT 2023
PRIMARY
PUBCHEM
79544
Created by admin on Sat Dec 16 14:02:17 GMT 2023 , Edited by admin on Sat Dec 16 14:02:17 GMT 2023
PRIMARY
ECHA (EC/EINECS)
226-686-3
Created by admin on Sat Dec 16 14:02:17 GMT 2023 , Edited by admin on Sat Dec 16 14:02:17 GMT 2023
PRIMARY
FDA UNII
LR3J9VC6SC
Created by admin on Sat Dec 16 14:02:17 GMT 2023 , Edited by admin on Sat Dec 16 14:02:17 GMT 2023
PRIMARY