Summary

IMPPAT Phytochemical identifier: IMPHY015439

Phytochemical name: 7,9-Dimethylhexadecane

Synonymous chemical names:
7,9-dimethyl- hexadecane, 7,9-dimethyl-hexadecane

External chemical identifiers:
CID:545945, SureChEMBL:SCHEMBL4276688

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Chemical structure information

SMILES:
CCCCCCCC(CC(CCCCCC)C)C

InChI:
InChI=1S/C18H38/c1-5-7-9-11-13-15-18(4)16-17(3)14-12-10-8-6-2/h17-18H,5-16H2,1-4H3

InChIKey:
PKDYKLUCVOPIKK-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCC))))))C)))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: 0.787

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Chemical structure download