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 BUTYRATE, (±)-

SMILES

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

InChI

InChIKey=PYGYQOOIXMJQOJ-UHFFFAOYSA-N
InChI=1S/C14H26O2/c1-5-7-14(15)16-11-10-13(4)9-6-8-12(2)3/h13H,2,5-11H2,1,3-4H3

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 Sat Dec 16 11:58:34 GMT 2023
Edited
by admin
on Sat Dec 16 11:58:34 GMT 2023
Record UNII
6JNM5LMT58
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
RHODINYL BUTYRATE, (±)-
Common Name English
BUTYRIC ACID, 3,7-DIMETHYL-7-OCTENYL ESTER
Systematic Name English
BUTANOIC ACID, 3,7-DIMETHYL-7-OCTENYL ESTER
Systematic Name English
2,6-DIMETHYL-1-OCTEN-8-YL BUTYRATE
Systematic Name English
7-OCTEN-1-OL, 3,7-DIMETHYL-, BUTYRATE
Systematic Name English
BUTANOIC ACID, 3,7-DIMETHYL-7-OCTEN-1-YL ESTER
Systematic Name English
Code System Code Type Description
FDA UNII
6JNM5LMT58
Created by admin on Sat Dec 16 11:58:35 GMT 2023 , Edited by admin on Sat Dec 16 11:58:35 GMT 2023
PRIMARY
ECHA (EC/EINECS)
205-462-9
Created by admin on Sat Dec 16 11:58:35 GMT 2023 , Edited by admin on Sat Dec 16 11:58:35 GMT 2023
PRIMARY
PUBCHEM
61093
Created by admin on Sat Dec 16 11:58:35 GMT 2023 , Edited by admin on Sat Dec 16 11:58:35 GMT 2023
PRIMARY
CAS
141-15-1
Created by admin on Sat Dec 16 11:58:35 GMT 2023 , Edited by admin on Sat Dec 16 11:58:35 GMT 2023
PRIMARY
EPA CompTox
DTXSID60861811
Created by admin on Sat Dec 16 11:58:35 GMT 2023 , Edited by admin on Sat Dec 16 11:58:35 GMT 2023
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE