Summary

IMPPAT Phytochemical identifier: IMPHY012142

Phytochemical name: 2,6-Dimethylheptane

Synonymous chemical names:
2,6-dimethylheptane

External chemical identifiers:
CID:14069, ZINC:ZINC000002039982, SureChEMBL:SCHEMBL42290

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Chemical structure information

SMILES:
CC(CCCC(C)C)C

InChI:
InChI=1S/C9H20/c1-8(2)6-5-7-9(3)4/h8-9H,5-7H2,1-4H3

InChIKey:
KBPCCVWUMVGXGF-UHFFFAOYSA-N

DeepSMILES:
CCCCCCC)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: 0.469

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Chemical structure download