Summary

IMPPAT Phytochemical identifier: IMPHY015355

Phytochemical name: 3-Methyloctadecane

Synonymous chemical names:
3-methyl-octadecane, 3-methyloctadecane

External chemical identifiers:
CID:110905, ChEBI:88669, SureChEMBL:SCHEMBL10583127

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCC(CC)C

InChI:
InChI=1S/C19H40/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19(3)5-2/h19H,4-18H2,1-3H3

InChIKey:
PGZRTPKNSFMAOP-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCC))C

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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: 0.586

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Chemical structure download