Summary

IMPPAT Phytochemical identifier: IMPHY015452

Phytochemical name: 8-Methylheptadecane

Synonymous chemical names:
8-methyl-heptadecane

External chemical identifiers:
CID:292723, SureChEMBL:SCHEMBL3242534

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Chemical structure information

SMILES:
CCCCCCCCCC(CCCCCCC)C

InChI:
InChI=1S/C18H38/c1-4-6-8-10-11-13-15-17-18(3)16-14-12-9-7-5-2/h18H,4-17H2,1-3H3

InChIKey:
AFKUSTCGONJZHE-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCC)))))))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: 0.542

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Chemical structure download