Summary

IMPPAT Phytochemical identifier: IMPHY007148

Phytochemical name: 2,3-Dimethylbutane

Synonymous chemical names:
2,3-dimethyl butane, 2,3-dimethylbutane

External chemical identifiers:
CID:6589, ChEMBL:CHEMBL1344453, ChEBI:141560, ZINC:ZINC000001615316, FDASRS:68ISQ7A432, SureChEMBL:SCHEMBL23671

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Chemical structure information

SMILES:
CC(C(C)C)C

InChI:
InChI=1S/C6H14/c1-5(2)6(3)4/h5-6H,1-4H3

InChIKey:
ZFFMLCVRJBZUDZ-UHFFFAOYSA-N

DeepSMILES:
CCCC)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: 0.045

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Chemical structure download