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

Details

Stereochemistry ABSOLUTE
Molecular Formula C9H18O3
Molecular Weight 174.2374
Optical Activity ( - )
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHYL 3-HYDROXYOCTANOATE, (R)-

SMILES

CCCCC[C@@H](O)CC(=O)OC

InChI

InChIKey=FHWBTAQRRDZDIY-MRVPVSSYSA-N
InChI=1S/C9H18O3/c1-3-4-5-6-8(10)7-9(11)12-2/h8,10H,3-7H2,1-2H3/t8-/m1/s1

HIDE SMILES / InChI

Molecular Formula C9H18O3
Molecular Weight 174.2374
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 20:55:40 GMT 2025
Edited
by admin
on Mon Mar 31 20:55:40 GMT 2025
Record UNII
2EAE8PD8QC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
METHYL (3R)-HYDROXYOCTANOATE
Preferred Name English
METHYL 3-HYDROXYOCTANOATE, (R)-
Systematic Name English
OCTANOIC ACID, 3-HYDROXY-, METHYL ESTER, (R)-
Systematic Name English
OCTANOIC ACID, 3-HYDROXY-, METHYL ESTER, (3R)-
Systematic Name English
METHYL (R)-3-HYDROXYOCTANOATE
Systematic Name English
R-3-HYDROXYOCTANOIC ACID METHYL ESTER
Systematic Name English
OCTANOIC ACID, 3-HYDROXY-, METHYL ESTER, (-)-
Systematic Name English
Code System Code Type Description
FDA UNII
2EAE8PD8QC
Created by admin on Mon Mar 31 20:55:40 GMT 2025 , Edited by admin on Mon Mar 31 20:55:40 GMT 2025
PRIMARY
PUBCHEM
12550001
Created by admin on Mon Mar 31 20:55:40 GMT 2025 , Edited by admin on Mon Mar 31 20:55:40 GMT 2025
PRIMARY
EPA CompTox
DTXSID80502214
Created by admin on Mon Mar 31 20:55:40 GMT 2025 , Edited by admin on Mon Mar 31 20:55:40 GMT 2025
PRIMARY
CAS
78672-90-9
Created by admin on Mon Mar 31 20:55:40 GMT 2025 , Edited by admin on Mon Mar 31 20:55:40 GMT 2025
PRIMARY