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

Details

Stereochemistry ACHIRAL
Molecular Formula C7H14O
Molecular Weight 114.1855
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4,4-Dimethyl-2-pentanone

SMILES

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

InChI

InChIKey=AZASWMGVGQEVCS-UHFFFAOYSA-N
InChI=1S/C7H14O/c1-6(8)5-7(2,3)4/h5H2,1-4H3

HIDE SMILES / InChI

Approval Year

Name Type Language
4,4-Dimethyl-2-pentanone
Systematic Name English
2-Pentanone, 4,4-dimethyl-
Preferred Name English
4,4-Dimethylpentan-2-one
Systematic Name English
Neopentyl methyl ketone
Systematic Name English
Methyl neoamyl ketone
Systematic Name English
NSC-944
Code English
Methyl neopentyl ketone
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
209-685-2
Created by admin on Tue Apr 01 19:14:04 GMT 2025 , Edited by admin on Tue Apr 01 19:14:04 GMT 2025
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FDA UNII
WT892W449L
Created by admin on Tue Apr 01 19:14:04 GMT 2025 , Edited by admin on Tue Apr 01 19:14:04 GMT 2025
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EPA CompTox
DTXSID4073914
Created by admin on Tue Apr 01 19:14:04 GMT 2025 , Edited by admin on Tue Apr 01 19:14:04 GMT 2025
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PUBCHEM
11546
Created by admin on Tue Apr 01 19:14:04 GMT 2025 , Edited by admin on Tue Apr 01 19:14:04 GMT 2025
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CAS
590-50-1
Created by admin on Tue Apr 01 19:14:04 GMT 2025 , Edited by admin on Tue Apr 01 19:14:04 GMT 2025
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NSC
944
Created by admin on Tue Apr 01 19:14:04 GMT 2025 , Edited by admin on Tue Apr 01 19:14:04 GMT 2025
PRIMARY