Summary

IMPPAT Phytochemical identifier: IMPHY016312

Phytochemical name: 2,4-Dimethylpentane

Synonymous chemical names:
2,4-dimethylpentane

External chemical identifiers:
CID:7907, ZINC:ZINC000001690950, FDASRS:4JT8Q9QOHI, SureChEMBL:SCHEMBL38322, MolPort-002-502-013

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Chemical structure information

SMILES:
CC(CC(C)C)C

InChI:
InChI=1S/C7H16/c1-6(2)5-7(3)4/h6-7H,5H2,1-4H3

InChIKey:
BZHMBWZPUJHVEE-UHFFFAOYSA-N

DeepSMILES:
CCCCC)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: 0.152

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Chemical structure download