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

Details

Stereochemistry ACHIRAL
Molecular Formula C19H34O2
Molecular Weight 294.4721
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of Geranyl pelargonate

SMILES

CCCCCCCCC(=O)OC\C=C(/C)CCC=C(C)C

InChI

InChIKey=WVOMTKJRDMPOCF-OBGWFSINSA-N
InChI=1S/C19H34O2/c1-5-6-7-8-9-10-14-19(20)21-16-15-18(4)13-11-12-17(2)3/h12,15H,5-11,13-14,16H2,1-4H3/b18-15+

HIDE SMILES / InChI

Molecular Formula C19H34O2
Molecular Weight 294.4721
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:15:12 GMT 2023
Edited
by admin
on Sat Dec 16 09:15:12 GMT 2023
Record UNII
A953Q6GU63
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Geranyl pelargonate
Common Name English
Nonanoic acid, 3,7-dimethyl-2,6-octadienyl ester, (E)-
Common Name English
Nonanoic acid, (2E)-3,7-dimethyl-2,6-octadienyl ester
Common Name English
(2E)-3,7-dimethylocta-2,6-dien-1-yl nonanoate
Systematic Name English
NONANOIC ACID, (2E)-3,7-DIMETHYL-2,6-OCTADIEN-1-YL ESTER
Common Name English
Code System Code Type Description
FDA UNII
A953Q6GU63
Created by admin on Sat Dec 16 09:15:12 GMT 2023 , Edited by admin on Sat Dec 16 09:15:12 GMT 2023
PRIMARY
CAS
68039-29-2
Created by admin on Sat Dec 16 09:15:12 GMT 2023 , Edited by admin on Sat Dec 16 09:15:12 GMT 2023
PRIMARY
PUBCHEM
6437207
Created by admin on Sat Dec 16 09:15:12 GMT 2023 , Edited by admin on Sat Dec 16 09:15:12 GMT 2023
PRIMARY
EPA CompTox
DTXSID90887105
Created by admin on Sat Dec 16 09:15:12 GMT 2023 , Edited by admin on Sat Dec 16 09:15:12 GMT 2023
PRIMARY
ECHA (EC/EINECS)
268-247-9
Created by admin on Sat Dec 16 09:15:12 GMT 2023 , Edited by admin on Sat Dec 16 09:15:12 GMT 2023
PRIMARY