Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID005559

Phytochemical name: 2-Methyltridecane

Synonymous chemical names:
2-methyltridecane

External chemical identifiers:
CID:CID_15269, ChEBI:CHEBI:84277, ZINC:ZINC000002560572, FDASRS:6UNR6OUH0J, SureChEMBL:SCHEMBL344571

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Chemical structure information

SMILES:
CCCCCCCCCCCC(C)C

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

InChIKey:
CJBFZKZYIPBBTO-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: 0.476

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Chemical structure download