Summary

IMPPAT Phytochemical identifier: IMPHY015424

Phytochemical name: 6,10-Dimethylundecan-2-one

Synonymous chemical names:
2-undecanone, 6,10-dimethyl-, 6,10-dimethyl-2-undecanone, 6,10-dimethylundecan-2-one, hexahydropseudoionone

External chemical identifiers:
CID:95495, FDASRS:91TGG00357, SureChEMBL:SCHEMBL117939, MolPort-002-509-174

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Chemical structure information

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

InChI:
InChI=1S/C13H26O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h11-12H,5-10H2,1-4H3

InChIKey:
RBGLEUBCAJNCTR-UHFFFAOYSA-N

DeepSMILES:
CCCCCC=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: 1.083

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Chemical structure download