tris(2,2-dimethylpropyl) phosphite

• ChemBase ID: 111666
• Molecular Formular: C15H33O3P
• Molecular Mass: 292.394481
• Monoisotopic Mass: 292.21673155
• SMILES: CC(C)(C)COP(OCC(C)(C)C)OCC(C)(C)C
• Canonical SMILES: CC(COP(OCC(C)(C)C)OCC(C)(C)C)(C)C
• InChI: InChI=1S/C15H33O3P/c1-13(2,3)10-16-19(17-11-14(4,5)6)18-12-15(7,8)9/h10-12H2,1-9H3
• InChIKey: VEKIRWDIEAVDHT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tris(2,2-dimethylpropyl) phosphite
• IUPAC Traditional name: tris(2,2-dimethylpropyl) phosphite
• Synonyms: TRINEOPENTYLPHOSPHITE

Database IDs

• CAS Number: 14540-52-4
• PubChem SID: 162089630
• PubChem CID: 316404

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 6.0640955
• LogD (pH = 7.4): 6.0641
• Log P: 6.0641
• Molar Refractivity: 82.4036 cm^3
• Polarizability: 33.15151 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 65°C
• Boiling Point: 220°C

DETAILS

MP Biomedicals - 05220296

MP Biomedicals Rare Chemical collection