Summary

IMPPAT Phytochemical identifier: IMPHY011060

Phytochemical name: 5,9-Dimethyl-2-decanone

Synonymous chemical names:
5,9-dimethyl-2-decanone

External chemical identifiers:
CID:537779

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Chemical structure information

SMILES:
CC(CCC(=O)C)CCCC(C)C

InChI:
InChI=1S/C12H24O/c1-10(2)6-5-7-11(3)8-9-12(4)13/h10-11H,5-9H2,1-4H3

InChIKey:
JLUPXNKKEGLDEO-UHFFFAOYSA-N

DeepSMILES:
CCCCC=O)C))))CCCCC)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: 1.225

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Chemical structure download