Summary

IMPPAT Phytochemical identifier: IMPHY017156

Phytochemical name: 2,5-Dimethylheptane

Synonymous chemical names:
2,5-dimethylheptane

External chemical identifiers:
CID:16662, SureChEMBL:SCHEMBL108583

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Chemical structure information

SMILES:
CCC(CCC(C)C)C

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

InChIKey:
HQZHQNKZOYIKQC-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: 1.08

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Chemical structure download