Summary

IMPPAT Phytochemical identifier: IMPHY016094

Phytochemical name: 2,4-Dimethylundecane

Synonymous chemical names:
(r) undecane,2,4-dimethyl

External chemical identifiers:
CID:28476, SureChEMBL:SCHEMBL671349

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Chemical structure information

SMILES:
CCCCCCCC(CC(C)C)C

InChI:
InChI=1S/C13H28/c1-5-6-7-8-9-10-13(4)11-12(2)3/h12-13H,5-11H2,1-4H3

InChIKey:
WMZNFELFMFOGCC-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCC)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: 0.819

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Chemical structure download