Summary

IMPPAT Phytochemical identifier: IMPHY015417

Phytochemical name: 5-Methyltridecane

Synonymous chemical names:
5-methyl tridecane

External chemical identifiers:
CID:520182, SureChEMBL:SCHEMBL673410

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Chemical structure information

SMILES:
CCCCCCCCC(CCCC)C

InChI:
InChI=1S/C14H30/c1-4-6-8-9-10-11-13-14(3)12-7-5-2/h14H,4-13H2,1-3H3

InChIKey:
NFWBQMAWXUZCRJ-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCC))))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: 0.734

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Chemical structure download