Summary

IMPPAT Phytochemical identifier: IMPHY016491

Phytochemical name: 9-Methyldecan-2-one

Synonymous chemical names:
9-methyl-2-decanone

External chemical identifiers:
CID:528742, SureChEMBL:SCHEMBL1783020

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Chemical structure information

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

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

InChIKey:
ZXNPJCRZXGWODB-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCC=O)C))))))))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: 0.849

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Chemical structure download