Summary

IMPPAT Phytochemical identifier: IMPHY017008

Phytochemical name: 4-Decanone

Synonymous chemical names:
4-decanone

External chemical identifiers:
CID:12203, ZINC:ZINC000002034322, FDASRS:502V1W8KD4, SureChEMBL:SCHEMBL52401, MolPort-001-787-668

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Chemical structure information

SMILES:
CCCCCCC(=O)CCC

InChI:
InChI=1S/C10H20O/c1-3-5-6-7-9-10(11)8-4-2/h3-9H2,1-2H3

InChIKey:
MKJDUHZPLQYUCB-UHFFFAOYSA-N

DeepSMILES:
CCCCCCC=O)CCC

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: 0.934

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Chemical structure download