Summary

IMPPAT Phytochemical identifier: IMPHY009689

Phytochemical name: 3-Decanone

Synonymous chemical names:
3-decanone

External chemical identifiers:
CID:13576, ChEBI:87309, ZINC:ZINC000002040169, FDASRS:CBT4991PRJ, SureChEMBL:SCHEMBL105548

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Chemical structure information

SMILES:
CCCCCCCC(=O)CC

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

InChIKey:
XJLDYKIEURAVBW-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCC=O)CC

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: 0.935

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Chemical structure download