Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID018212

Phytochemical name: 5-Decanone, 2-methyl-

Synonymous chemical names:
5-Decanone, 2-methyl-

External chemical identifiers:
CID:CID_537777

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Chemical structure information

SMILES:
CCCCCC(=O)CCC(C)C

InChI:
InChI=1S/C11H22O/c1-4-5-6-7-11(12)9-8-10(2)3/h10H,4-9H2,1-3H3

InChIKey:
CDCHBGBDDXRJKB-UHFFFAOYSA-N

DeepSMILES:
CCCCCC=O)CCCC)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: 0.762

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Chemical structure download