Summary

IMPPAT Phytochemical identifier: IMPHY015284

Phytochemical name: 2-Methylhexadecane

Synonymous chemical names:
2-methyl-hexadecane, 2-methylhexadecane

External chemical identifiers:
CID:15266, ZINC:ZINC000100104887, FDASRS:0UAR331X65, SureChEMBL:SCHEMBL651886

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCC(C)C

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

InChIKey:
FNWWOHKUXFTKGN-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: 0.392

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Chemical structure download