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
NSC-21862
Preferred Name English
39840N
Common Name English
VALERIC ACID, HEPTYL ESTER
Common Name English
ENT-30517
Code English
PENTANOIC ACID, HEPTYL ESTER
Common Name English
HEPTYL PENTANOATE
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID2063898
Created by admin on Tue Apr 01 22:01:58 GMT 2025 , Edited by admin on Tue Apr 01 22:01:58 GMT 2025
PRIMARY
CAS
5451-80-9
Created by admin on Tue Apr 01 22:01:58 GMT 2025 , Edited by admin on Tue Apr 01 22:01:58 GMT 2025
PRIMARY
NSC
21862
Created by admin on Tue Apr 01 22:01:58 GMT 2025 , Edited by admin on Tue Apr 01 22:01:58 GMT 2025
PRIMARY
PUBCHEM
79544
Created by admin on Tue Apr 01 22:01:58 GMT 2025 , Edited by admin on Tue Apr 01 22:01:58 GMT 2025
PRIMARY
ECHA (EC/EINECS)
226-686-3
Created by admin on Tue Apr 01 22:01:58 GMT 2025 , Edited by admin on Tue Apr 01 22:01:58 GMT 2025
PRIMARY
FDA UNII
LR3J9VC6SC
Created by admin on Tue Apr 01 22:01:58 GMT 2025 , Edited by admin on Tue Apr 01 22:01:58 GMT 2025
PRIMARY