Summary

IMPPAT Phytochemical identifier: IMPHY016376

Phytochemical name: 3-Methylundecane

Synonymous chemical names:
3-methyl undecane

External chemical identifiers:
CID:13845, SureChEMBL:SCHEMBL450926

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Chemical structure information

SMILES:
CCCCCCCCC(CC)C

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

InChIKey:
HTZWVZNRDDOFEI-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: 0.928

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Chemical structure download