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

Details

Stereochemistry RACEMIC
Molecular Formula C8H16O2
Molecular Weight 144.2114
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-Hydroxy-5-methylheptan-3-one

SMILES

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

InChI

InChIKey=NGVUNKBOBWPIOQ-UHFFFAOYSA-N
InChI=1S/C8H16O2/c1-4-7(9)6-8(3,10)5-2/h10H,4-6H2,1-3H3

HIDE SMILES / InChI

Approval Year

Name Type Language
5-Hydroxy-5-methylheptan-3-one
Systematic Name English
3-Heptanone, 5-hydroxy-5-methyl-
Systematic Name English
5-Hydroxy-5-methyl-3-heptanone
Systematic Name English
Code System Code Type Description
PUBCHEM
12525281
Created by admin on Sat Dec 16 20:00:49 GMT 2023 , Edited by admin on Sat Dec 16 20:00:49 GMT 2023
PRIMARY
CAS
39121-37-4
Created by admin on Sat Dec 16 20:00:49 GMT 2023 , Edited by admin on Sat Dec 16 20:00:49 GMT 2023
PRIMARY
FDA UNII
J3K9M7B5NB
Created by admin on Sat Dec 16 20:00:49 GMT 2023 , Edited by admin on Sat Dec 16 20:00:49 GMT 2023
PRIMARY