Summary

IMPPAT Phytochemical identifier: IMPHY016093

Phytochemical name: 2,3-Dimethylheptane

Synonymous chemical names:
(r) heptane,2,3-dimethyl-

External chemical identifiers:
CID:26375, SureChEMBL:SCHEMBL82325, MolPort-002-501-983

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Chemical structure information

SMILES:
CCCCC(C(C)C)C

InChI:
InChI=1S/C9H20/c1-5-6-7-9(4)8(2)3/h8-9H,5-7H2,1-4H3

InChIKey:
WBRFDUJXCLCKPX-UHFFFAOYSA-N

DeepSMILES:
CCCCCCC)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: 1.006

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Chemical structure download