dioctylstannanone

• ChemBase ID: 109815
• Molecular Formular: C16H34OSn
• Molecular Mass: 361.14156
• Monoisotopic Mass: 362.16315971
• SMILES: CCCCCCCC[Sn](=O)CCCCCCCC
• Canonical SMILES: CCCCCCCC[Sn](=O)CCCCCCCC
• InChI: InChI=1S/2C8H17.O.Sn/c2*1-3-5-7-8-6-4-2;;/h2*1,3-8H2,2H3
• InChIKey: LQRUPWUPINJLMU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dioctylstannanone
• IUPAC Traditional name: stannane, dioctyloxo-
• Synonyms: DIOCTYLOXOTIN; DIOCTYL TIN OXIDE

Database IDs

• CAS Number: 870-08-6
• PubChem SID: 162095548
• PubChem CID: 93563

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.715313
• LogD (pH = 7.4): 4.715596
• Log P: 4.7156
• Molar Refractivity: 77.5027 cm^3
• Polarizability: 35.372746 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 14
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05212685

MP Biomedicals Rare Chemical collection