Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID017989

Phytochemical name: 4,6-Dimethylundecane

Synonymous chemical names:
4,6-Dimethylundecane

External chemical identifiers:
CID:CID_28477, ChEBI:CHEBI:84285

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Chemical structure information

SMILES:
CCCCCC(CC(CCC)C)C

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

InChIKey:
YXHLCYIRSXOVHP-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: 1.138

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Chemical structure download