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

Details

Stereochemistry ACHIRAL
Molecular Formula C9H18O
Molecular Weight 142.2386
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Neopentyl propyl ketone

SMILES

CCCC(=O)CC(C)(C)C

InChI

InChIKey=JUQWYDYXUFYJNR-UHFFFAOYSA-N
InChI=1S/C9H18O/c1-5-6-8(10)7-9(2,3)4/h5-7H2,1-4H3

HIDE SMILES / InChI

Approval Year

Name Type Language
Neopentyl propyl ketone
Systematic Name English
NSC-916
Preferred Name English
6,6-Dimethyl-4-heptanone
Systematic Name English
2,2-Dimethyl-4-heptanone
Systematic Name English
2,2-Dimethylheptan-4-one
Systematic Name English
4-Heptanone, 2,2-dimethyl-
Systematic Name English
Code System Code Type Description
FDA UNII
S7W24YDM86
Created by admin on Wed Apr 02 12:09:25 GMT 2025 , Edited by admin on Wed Apr 02 12:09:25 GMT 2025
PRIMARY
NSC
916
Created by admin on Wed Apr 02 12:09:25 GMT 2025 , Edited by admin on Wed Apr 02 12:09:25 GMT 2025
PRIMARY
PUBCHEM
219509
Created by admin on Wed Apr 02 12:09:25 GMT 2025 , Edited by admin on Wed Apr 02 12:09:25 GMT 2025
PRIMARY
EPA CompTox
DTXSID50277124
Created by admin on Wed Apr 02 12:09:25 GMT 2025 , Edited by admin on Wed Apr 02 12:09:25 GMT 2025
PRIMARY
CAS
1762-19-2
Created by admin on Wed Apr 02 12:09:25 GMT 2025 , Edited by admin on Wed Apr 02 12:09:25 GMT 2025
PRIMARY