Summary

IMPPAT Phytochemical identifier: IMPHY012156

Phytochemical name: 2,6-Dimethyloctane

Synonymous chemical names:
2,6-dimethyloctane

External chemical identifiers:
CID:16319, SureChEMBL:SCHEMBL93800

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Chemical structure information

SMILES:
CCC(CCCC(C)C)C

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

InChIKey:
ZALHPSXXQIPKTQ-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: 1.018

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Chemical structure download