Summary

IMPPAT Phytochemical identifier: IMPHY015228

Phytochemical name: 2,4,6-Trimethyloctane

Synonymous chemical names:
2,4,6-trimethyl octaneb, 2,4,6-trimethyloctane

External chemical identifiers:
CID:545612, SureChEMBL:SCHEMBL671345

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Chemical structure information

SMILES:
CCC(CC(CC(C)C)C)C

InChI:
InChI=1S/C11H24/c1-6-10(4)8-11(5)7-9(2)3/h9-11H,6-8H2,1-5H3

InChIKey:
XHNIFDXYGLPJLP-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCC)C)))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: 1.02

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Chemical structure download