Summary

IMPPAT Phytochemical identifier: IMPHY015191

Phytochemical name: 1-Iodo-2-methylundecane

Synonymous chemical names:
1-iodo-2-methyl-undecane, 1-iodo-2-methylundecane

External chemical identifiers:
CID:545590, ChEBI:84222, SureChEMBL:SCHEMBL16046820

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Chemical structure information

SMILES:
CCCCCCCCCC(CI)C

InChI:
InChI=1S/C12H25I/c1-3-4-5-6-7-8-9-10-12(2)11-13/h12H,3-11H2,1-2H3

InChIKey:
RTWBFGUVCAVDFO-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCI))C

Functional groups:
CI

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organohalogen compounds

ClassyFire Class: Organoiodides

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Hydrocarbons

NP-Likeness score: 0.608

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Chemical structure download