Summary

IMPPAT Phytochemical identifier: IMPHY015281

Phytochemical name: 2-Methylheptadecane

Synonymous chemical names:
2-methyl heptadecane, 2-methyl-heptadecane, 2-methylheptadecane

External chemical identifiers:
CID:15265, ZINC:ZINC000086051428, FDASRS:GK7FXL06Y8, SureChEMBL:SCHEMBL170896

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCC(C)C

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

InChIKey:
RJWUMFHQJJBBOD-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: 0.37

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Chemical structure download