Summary

IMPPAT Phytochemical identifier: IMPHY017093

Phytochemical name: 2,7-Dimethyloctane

Synonymous chemical names:
octane,2,7-dimethyl

External chemical identifiers:
CID:14070, ZINC:ZINC000001693348, SureChEMBL:SCHEMBL108076

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Chemical structure information

SMILES:
CC(CCCCC(C)C)C

InChI:
InChI=1S/C10H22/c1-9(2)7-5-6-8-10(3)4/h9-10H,5-8H2,1-4H3

InChIKey:
KEVMYFLMMDUPJE-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCC)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: 0.433

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Chemical structure download