Summary

IMPPAT Phytochemical identifier: IMPHY015401

Phytochemical name: 5,7-Dimethylundecane

Synonymous chemical names:
5,7-dimethylundecane

External chemical identifiers:
CID:519405, SureChEMBL:SCHEMBL2504628

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Chemical structure information

SMILES:
CCCCC(CC(CCCC)C)C

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

InChIKey:
AMMTZOCUKBWLJL-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: 0.859

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Chemical structure download