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

Details

Stereochemistry RACEMIC
Molecular Formula C14H26O2
Molecular Weight 226.355
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of RHODINYL ISOBUTYRATE, (±)-

SMILES

CC(C)C(=O)OCCC(C)CCCC(C)=C

InChI

InChIKey=KHCGLDOOFYZQKU-UHFFFAOYSA-N
InChI=1S/C14H26O2/c1-11(2)7-6-8-13(5)9-10-16-14(15)12(3)4/h12-13H,1,6-10H2,2-5H3

HIDE SMILES / InChI

Molecular Formula C14H26O2
Molecular Weight 226.355
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 16:58:34 GMT 2025
Edited
by admin
on Tue Apr 01 16:58:34 GMT 2025
Record UNII
MPU705W90M
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,6-DIMETHYL-1-OCTEN-8-YL ISOBUTYRATE
Preferred Name English
RHODINYL ISOBUTYRATE, (±)-
Common Name English
ISOBUTYRIC ACID, 3,7-DIMETHYL-7-OCTENYL ESTER
Systematic Name English
PROPANOIC ACID, 2-METHYL-, 3,7-DIMETHYL-7-OCTEN-1-YL ESTER
Systematic Name English
PROPANOIC ACID, 2-METHYL-, 3,7-DIMETHYL-7-OCTENYL ESTER
Systematic Name English
Code System Code Type Description
PUBCHEM
61085
Created by admin on Tue Apr 01 16:58:34 GMT 2025 , Edited by admin on Tue Apr 01 16:58:34 GMT 2025
PRIMARY
EPA CompTox
DTXSID40861798
Created by admin on Tue Apr 01 16:58:34 GMT 2025 , Edited by admin on Tue Apr 01 16:58:34 GMT 2025
PRIMARY
CAS
138-23-8
Created by admin on Tue Apr 01 16:58:34 GMT 2025 , Edited by admin on Tue Apr 01 16:58:34 GMT 2025
PRIMARY
ECHA (EC/EINECS)
205-318-5
Created by admin on Tue Apr 01 16:58:34 GMT 2025 , Edited by admin on Tue Apr 01 16:58:34 GMT 2025
PRIMARY
FDA UNII
MPU705W90M
Created by admin on Tue Apr 01 16:58:34 GMT 2025 , Edited by admin on Tue Apr 01 16:58:34 GMT 2025
PRIMARY