Summary

IMPPAT Phytochemical identifier: IMPHY015385

Phytochemical name: 4-Methylhexadecane

Synonymous chemical names:
4-methyl-hexadecane

External chemical identifiers:
CID:179444, SureChEMBL:SCHEMBL652603

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Chemical structure information

SMILES:
CCCCCCCCCCCCC(CCC)C

InChI:
InChI=1S/C17H36/c1-4-6-7-8-9-10-11-12-13-14-16-17(3)15-5-2/h17H,4-16H2,1-3H3

InChIKey:
OREPYGSHKSWUCK-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCC)))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: 0.674

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Chemical structure download