triethylindigane

• ChemBase ID: 112156
• Molecular Formular: C6H15In
• Molecular Mass: 202.0013
• Monoisotopic Mass: 202.02125348
• SMILES: CC[In](CC)CC
• Canonical SMILES: CC[In](CC)CC
• InChI: InChI=1S/3C2H5.In/c3*1-2;/h3*1H2,2H3
• InChIKey: OTRPZROOJRIMKW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: triethylindigane
• IUPAC Traditional name: triethylindigane
• Synonyms: INDIUM TRIETHYL,25%SOLN IN HEPTANE

Database IDs

• PubChem SID: 162106742
• PubChem CID: 101912

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.434
• LogD (pH = 7.4): 1.434
• Log P: 1.434
• Molar Refractivity: 31.0407 cm^3
• Polarizability: 16.814428 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05222759

MP Biomedicals Rare Chemical collection