Summary

IMPPAT Phytochemical identifier: IMPHY015311

Phytochemical name: 3,3-Dimethylpentane

Synonymous chemical names:
3,3-dimethylpentane

External chemical identifiers:
CID:11229, ChEMBL:CHEMBL3188231, ZINC:ZINC000001699535, FDASRS:R1RH0VBD2L, SureChEMBL:SCHEMBL57088, MolPort-002-501-967

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Chemical structure information

SMILES:
CCC(CC)(C)C

InChI:
InChI=1S/C7H16/c1-5-7(3,4)6-2/h5-6H2,1-4H3

InChIKey:
AEXMKKGTQYQZCS-UHFFFAOYSA-N

DeepSMILES:
CCCCC))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: 0.164

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Chemical structure download