Summary

IMPPAT Phytochemical identifier: IMPHY008256

Phytochemical name: 5-Hexen-2-one

Synonymous chemical names:
5-hexen-2-one, hex-5-en-2-one

External chemical identifiers:
CID:7989, ZINC:ZINC000001867148, FDASRS:XWM6RL9YEI, SureChEMBL:SCHEMBL7498, MolPort-001-792-154

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Chemical structure information

SMILES:
C=CCCC(=O)C

InChI:
InChI=1S/C6H10O/c1-3-4-5-6(2)7/h3H,1,4-5H2,2H3

InChIKey:
RNDVGJZUHCKENF-UHFFFAOYSA-N

DeepSMILES:
C=CCCC=O)C

Functional groups:
C=CC, 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: 1.259

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Chemical structure download