Summary

IMPPAT Phytochemical identifier: IMPHY015231

Phytochemical name: 2,4-Dimethylhexane

Synonymous chemical names:
2,4-dimethyl hexane, 2,4-dimethylhexane

External chemical identifiers:
CID:11511, ChEBI:141561, FDASRS:9A9NBD65O2, SureChEMBL:SCHEMBL83131, MolPort-002-501-953

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Chemical structure information

SMILES:
CCC(CC(C)C)C

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

InChIKey:
HDGQICNBXPAKLR-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: 0.653

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Chemical structure download