Summary

IMPPAT Phytochemical identifier: IMPHY015420

Phytochemical name: 5-Nonanone

Synonymous chemical names:
5-nonanone

External chemical identifiers:
CID:10405, ZINC:ZINC000001653217, FDASRS:V8B2Y1BZ3S, SureChEMBL:SCHEMBL106334, MolPort-001-759-252

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Chemical structure information

SMILES:
CCCCC(=O)CCCC

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

InChIKey:
WSGCRAOTEDLMFQ-UHFFFAOYSA-N

DeepSMILES:
CCCCC=O)CCCC

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: 0.518

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Chemical structure download