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 UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-HYDROXY-7-METHYLOCTANOIC ACID, (3R)-

SMILES

CC(C)CCC[C@@H](O)CC(O)=O

InChI

InChIKey=URSDOFWLDXJRKM-MRVPVSSYSA-N
InChI=1S/C9H18O3/c1-7(2)4-3-5-8(10)6-9(11)12/h7-8,10H,3-6H2,1-2H3,(H,11,12)/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 Sat Dec 16 14:53:17 GMT 2023
Edited
by admin
on Sat Dec 16 14:53:17 GMT 2023
Record UNII
G7OAL39WIW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-HYDROXY-7-METHYLOCTANOIC ACID, (3R)-
Systematic Name English
(3R)-3-HYDROXY-7-METHYLOCTANOIC ACID
Systematic Name English
OCTANOIC ACID, 3-HYDROXY-7-METHYL-, (3R)-
Systematic Name English
Code System Code Type Description
CAS
1059625-25-0
Created by admin on Sat Dec 16 14:53:17 GMT 2023 , Edited by admin on Sat Dec 16 14:53:17 GMT 2023
PRIMARY
FDA UNII
G7OAL39WIW
Created by admin on Sat Dec 16 14:53:17 GMT 2023 , Edited by admin on Sat Dec 16 14:53:17 GMT 2023
PRIMARY
PUBCHEM
54368842
Created by admin on Sat Dec 16 14:53:17 GMT 2023 , Edited by admin on Sat Dec 16 14:53:17 GMT 2023
PRIMARY