Summary

IMPPAT Phytochemical identifier: IMPHY011043

Phytochemical name: 2-Dodecanone

Synonymous chemical names:
2-dodecanone, dodecan-2-one

External chemical identifiers:
CID:22556, ChEMBL:CHEMBL2228472, ChEBI:89284, ZINC:ZINC000002034113, FDASRS:P5CN8YSV3P, SureChEMBL:SCHEMBL103221, MolPort-003-912-951

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Chemical structure information

SMILES:
CCCCCCCCCCC(=O)C

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

InChIKey:
LSKONYYRONEBKA-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCC=O)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: 0.556

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Chemical structure download