Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID000545

Phytochemical name: 2-Undecanone

Synonymous chemical names:
undecan-2-one, 2-Undecanone, Undecan-2-one, undecanone-2, Methyl nonyl ketone, methyl nonyl ketone, 2-undecanone c, 2-undecanon, me-nonyl ketone, methylnonyl ketone, undecanone, methylnonylketone, methyl-n-nonyl-ketone, 2-undecanone

External chemical identifiers:
CID:CID_8163, ChEMBL:CHEMBL1236582, ChEBI:CHEBI:17700, ZINC:ZINC000001529305, FDASRS:YV5DSO8CY9, SureChEMBL:SCHEMBL117635, MolPort-003-933-723

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Chemical structure information

SMILES:
CCCCCCCCCC(=O)C

InChI:
InChI=1S/C11H22O/c1-3-4-5-6-7-8-9-10-11(2)12/h3-10H2,1-2H3

InChIKey:
KYWIYKKSMDLRDC-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCC=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: 0.603

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Chemical structure download