Molecule ID: 545590

IUPAC Name: 1-iodo-2-methylundecane

Description: The molecule is an iodoalkane that is undecane substituted by an iodo group at position 1 and a methyl group at position 2. Metabolite observed in cancer metabolism. It has a role as a human metabolite.

SMILES: CCCCCCCCCC(C)CI

SELFIES: [C][C][C][C][C][C][C][C][C][C][Branch1][C][C][C][I]

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

Molecular Properties:
- Polar Surface Area: 0.0 Ų
- LogP: 7.2