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

Details

Stereochemistry ABSOLUTE
Molecular Formula C6H12O
Molecular Weight 100.1589
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-Methyl-2-pentanone, (3R)-

SMILES

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

InChI

InChIKey=UIHCLUNTQKBZGK-RXMQYKEDSA-N
InChI=1S/C6H12O/c1-4-5(2)6(3)7/h5H,4H2,1-3H3/t5-/m1/s1

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
3-Methyl-2-pentanone, (3R)-
Systematic Name English
(-)-3-Methyl-2-pentanone
Preferred Name English
2-Pentanone, 3-methyl-, (3R)-
Systematic Name English
(3R)-3-Methyl-2-pentanone
Systematic Name English
(R)-(-)-3-Methyl-2-pentanone
Systematic Name English
Code System Code Type Description
CAS
57968-72-6
Created by admin on Wed Apr 02 21:08:31 GMT 2025 , Edited by admin on Wed Apr 02 21:08:31 GMT 2025
PRIMARY
PUBCHEM
6999802
Created by admin on Wed Apr 02 21:08:31 GMT 2025 , Edited by admin on Wed Apr 02 21:08:31 GMT 2025
PRIMARY
FDA UNII
XK57WH4DBY
Created by admin on Wed Apr 02 21:08:31 GMT 2025 , Edited by admin on Wed Apr 02 21:08:31 GMT 2025
PRIMARY
NIH
NCATS
PRIVACY NOTICE
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966