Summary

IMPPAT Phytochemical identifier: IMPHY017584

Phytochemical name: 2,2-Dimethylbutane

Synonymous chemical names:
2,2-dimethylbutane

External chemical identifiers:
CID:6403, ChEMBL:CHEMBL142735, ZINC:ZINC000001699511, FDASRS:07L56L3MP2, SureChEMBL:SCHEMBL22537, MolPort-003-931-763

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Chemical structure information

SMILES:
CCC(C)(C)C

InChI:
InChI=1S/C6H14/c1-5-6(2,3)4/h5H2,1-4H3

InChIKey:
HNRMPXKDFBEGFZ-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: -0.308

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Chemical structure download