Summary

IMPPAT Phytochemical identifier: IMPHY017352

Phytochemical name: 4-Hexen-2-one

Synonymous chemical names:
4-hexen-2-one, (e)-

External chemical identifiers:
CID:5326164, SureChEMBL:SCHEMBL2619425

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Chemical structure information

SMILES:
C/C=C/CC(=O)C

InChI:
InChI=1S/C6H10O/c1-3-4-5-6(2)7/h3-4H,5H2,1-2H3/b4-3+

InChIKey:
YRXUQYBLFBZHNE-ONEGZZNKSA-N

DeepSMILES:
C/C=C/CC=O)C

Functional groups:
C/C=C/C, CC(C)=O

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbonyl compounds

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Oxygenated hydrocarbons

NP-Likeness score: 1.255

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Chemical structure download