Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID017998

Phytochemical name: 2,3,4-Trimethylpentane

Synonymous chemical names:
2,3,4-Trimethylpentane

External chemical identifiers:
CID:CID_11269, ChEBI:CHEBI:165735, ZINC:ZINC000001615325, FDASRS:WOJ1QVR6OA, SureChEMBL:SCHEMBL81105, Molport-002-501-982

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Chemical structure information

SMILES:
CC(C(C)C)C(C)C

InChI:
InChI=1S/C8H18/c1-6(2)8(5)7(3)4/h6-8H,1-5H3

InChIKey:
RLPGDEORIPLBNF-UHFFFAOYSA-N

DeepSMILES:
CCCC)C))CC)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: 0.767

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Chemical structure download