Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID000472

Phytochemical name: Octadecane

Synonymous chemical names:
n-octadecane, octa decane, octadecane, Octadecane

External chemical identifiers:
CID:CID_11635, ChEBI:CHEBI:32926, ZINC:ZINC000059592152, FDASRS:N102P6HAIU, SureChEMBL:SCHEMBL22951, MolPort-002-485-390

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCC

InChI:
InChI=1S/C18H38/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3-18H2,1-2H3

InChIKey:
RZJRJXONCZWCBN-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCC

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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: 0.136

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Chemical structure download