Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID001489

Phytochemical name: Undecane

Synonymous chemical names:
hendecane, undecane, Undecane, undecane, n, n-undecane, n-Undecane, n-hendecane, n-undecane*, 2-undecane

External chemical identifiers:
CID:CID_14257, ChEMBL:CHEMBL132474, ChEBI:CHEBI:46342, ZINC:ZINC000001693211, FDASRS:JV0QT00NUE, SureChEMBL:SCHEMBL25023, MolPort-001-783-218

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Chemical structure information

SMILES:
CCCCCCCCCCC

InChI:
InChI=1S/C11H24/c1-3-5-7-9-11-10-8-6-4-2/h3-11H2,1-2H3

InChIKey:
RSJKGSCJYJTIGS-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCC

Link to spectral information:
MSBNK-Fac_Eng_Univ_Tokyo-JP008903

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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: 0.222

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Chemical structure download