Summary

IMPPAT Phytochemical identifier: IMPHY011054

Phytochemical name: 4-Nonanone

Synonymous chemical names:
4-nonanone, propyl amyl ketone

External chemical identifiers:
CID:78236, ZINC:ZINC000002167283, SureChEMBL:SCHEMBL129432, MolPort-001-787-648

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Chemical structure information

SMILES:
CCCCCC(=O)CCC

InChI:
InChI=1S/C9H18O/c1-3-5-6-8-9(10)7-4-2/h3-8H2,1-2H3

InChIKey:
TYBCSQFBSWACAA-UHFFFAOYSA-N

DeepSMILES:
CCCCCC=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: 0.92

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Chemical structure download