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

Details

Stereochemistry ABSOLUTE
Molecular Formula C8H16O
Molecular Weight 128.212
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-METHYL-3-HEPTANONE, (-)-

SMILES

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

InChI

InChIKey=PSBKJPTZCVYXSD-SSDOTTSWSA-N
InChI=1S/C8H16O/c1-4-7(3)6-8(9)5-2/h7H,4-6H2,1-3H3/t7-/m1/s1

HIDE SMILES / InChI

Molecular Formula C8H16O
Molecular Weight 128.212
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 08:10:45 UTC 2023
Edited
by admin
on Sat Dec 16 08:10:45 UTC 2023
Record UNII
R1B57M585J
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-METHYL-3-HEPTANONE, (-)-
Systematic Name English
(R)-(-)-5-METHYL-3-HEPTANONE
Systematic Name English
3-HEPTANONE, 5-METHYL-, (5R)-
Systematic Name English
(-)-5-METHYL-3-HEPTANONE
Systematic Name English
Code System Code Type Description
PUBCHEM
6566014
Created by admin on Sat Dec 16 08:10:45 UTC 2023 , Edited by admin on Sat Dec 16 08:10:45 UTC 2023
PRIMARY
FDA UNII
R1B57M585J
Created by admin on Sat Dec 16 08:10:45 UTC 2023 , Edited by admin on Sat Dec 16 08:10:45 UTC 2023
PRIMARY
CAS
116003-10-2
Created by admin on Sat Dec 16 08:10:45 UTC 2023 , Edited by admin on Sat Dec 16 08:10:45 UTC 2023
PRIMARY