Summary

IMPPAT Phytochemical identifier: IMPHY012126

Phytochemical name: 2,5-Dimethylhexane

Synonymous chemical names:
2,5-dimethylhexane

External chemical identifiers:
CID:11592, ZINC:ZINC000001699553, FDASRS:PCS13D63P8, SureChEMBL:SCHEMBL83493, MolPort-002-501-673

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Chemical structure information

SMILES:
CC(CCC(C)C)C

InChI:
InChI=1S/C8H18/c1-7(2)5-6-8(3)4/h7-8H,5-6H2,1-4H3

InChIKey:
UWNADWZGEHDQAB-UHFFFAOYSA-N

DeepSMILES:
CCCCCC)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: 0.338

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Chemical structure download