Summary

IMPPAT Phytochemical identifier: IMPHY017761

Phytochemical name: 6-Dodecanone

Synonymous chemical names:
6-dodecanone

External chemical identifiers:
CID:80165, ZINC:ZINC000002528343, SureChEMBL:SCHEMBL5725

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Chemical structure information

SMILES:
CCCCCCC(=O)CCCCC

InChI:
InChI=1S/C12H24O/c1-3-5-7-9-11-12(13)10-8-6-4-2/h3-11H2,1-2H3

InChIKey:
ZAQZICGOYPRHCK-UHFFFAOYSA-N

DeepSMILES:
CCCCCCC=O)CCCCC

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: 0.629

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Chemical structure download