Summary

IMPPAT Phytochemical identifier: IMPHY015418

Phytochemical name: 5-Methylundecane

Synonymous chemical names:
(m)undecane,5-methyl-, 5-methylundecane

External chemical identifiers:
CID:94213, SureChEMBL:SCHEMBL729773

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Chemical structure information

SMILES:
CCCCCCC(CCCC)C

InChI:
InChI=1S/C12H26/c1-4-6-8-9-11-12(3)10-7-5-2/h12H,4-11H2,1-3H3

InChIKey:
QULNVKABFWNUCW-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCC))))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: 0.856

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Chemical structure download