Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID001029

Phytochemical name: Nonane

Synonymous chemical names:
nonane, n, nonane,n, nonane, Nonane, n-Nonane

External chemical identifiers:
CID:CID_8141, ChEMBL:CHEMBL335900, ChEBI:CHEBI:32892, ZINC:ZINC000001698517, FDASRS:T9W3VH6G10, SureChEMBL:SCHEMBL23798, MolPort-003-929-477

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Chemical structure information

SMILES:
CCCCCCCCC

InChI:
InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3

InChIKey:
BKIMMITUMNQMOS-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCC

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Hydrocarbons

ClassyFire Class: Saturated hydrocarbons

ClassyFire Subclass: Alkanes

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Hydrocarbons

NP-Likeness score: 0.271

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Chemical structure download