Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID000127

Phytochemical name: 2-Decanone

Synonymous chemical names:
methyl octyl ketone, 2-Decanone, 2decanone, decan-2-one, decan-zone, 2-decanone

External chemical identifiers:
CID:CID_12741, ChEMBL:CHEMBL47127, ChEBI:CHEBI:77929, ZINC:ZINC000002031407, FDASRS:GX543OLT0R, SureChEMBL:SCHEMBL103053, MolPort-001-787-992

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Chemical structure information

SMILES:
CCCCCCCCC(=O)C

InChI:
InChI=1S/C10H20O/c1-3-4-5-6-7-8-9-10(2)11/h3-9H2,1-2H3

InChIKey:
ZAJNGDIORYACQU-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCC=O)C

Functional groups:
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: 0.658

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Chemical structure download