Summary

IMPPAT Phytochemical identifier: IMPHY015213

Phytochemical name: 2,3,4-Trimethylhexane

Synonymous chemical names:
2,3,4-trimethylhexane

External chemical identifiers:
CID:13533, SureChEMBL:SCHEMBL232596

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Chemical structure information

SMILES:
CCC(C(C(C)C)C)C

InChI:
InChI=1S/C9H20/c1-6-8(4)9(5)7(2)3/h7-9H,6H2,1-5H3

InChIKey:
RUTNOQHQISEBGT-UHFFFAOYSA-N

DeepSMILES:
CCCCCC)C))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: 1.196

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Chemical structure download