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

Details

Stereochemistry RACEMIC
Molecular Formula C13H24O2
Molecular Weight 212.3285
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Isopropyl 3,7-dimethyloct-6-enoate

SMILES

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

InChI

InChIKey=ACFVGWNYKXYWHV-UHFFFAOYSA-N
InChI=1S/C13H24O2/c1-10(2)7-6-8-12(5)9-13(14)15-11(3)4/h7,11-12H,6,8-9H2,1-5H3

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
Isopropyl 3,7-dimethyloct-6-enoate
Systematic Name English
Propan-2-yl 3,7-dimethyloct-6-enoate
Systematic Name English
1-Methylethyl 3,7-dimethyl-6-octenoate
Systematic Name English
6-Octenoic acid,3,7-dimethyl-,1-methylethyl ester
Systematic Name English
Code System Code Type Description
PUBCHEM
3015311
Created by admin on Sat Dec 16 20:21:59 GMT 2023 , Edited by admin on Sat Dec 16 20:21:59 GMT 2023
PRIMARY
CAS
26728-45-0
Created by admin on Sat Dec 16 20:21:59 GMT 2023 , Edited by admin on Sat Dec 16 20:21:59 GMT 2023
PRIMARY
FDA UNII
4G3DJV4LPS
Created by admin on Sat Dec 16 20:21:59 GMT 2023 , Edited by admin on Sat Dec 16 20:21:59 GMT 2023
PRIMARY
NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966