2-[(5,5-dimethyl-2-oxo-1,3,2$l^{5}-dioxaphosphinan-2-yl)methyl]-5,5-dimethyl-1,3,2$l^{5}-dioxaphosphinan-2-one

• ChemBase ID: 82013
• Molecular Formular: C11H22O6P2
• Molecular Mass: 312.236302
• Monoisotopic Mass: 312.08916168
• SMILES: P1(=O)(CP2(=O)OCC(CO2)(C)C)OCC(CO1)(C)C
• Canonical SMILES: CC1(C)COP(=O)(OC1)CP1(=O)OCC(CO1)(C)C
• InChI: InChI=1S/C11H22O6P2/c1-10(2)5-14-18(12,15-6-10)9-19(13)16-7-11(3,4)8-17-19/h5-9H2,1-4H3
• InChIKey: SBBDXNPCMKYRSF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(5,5-dimethyl-2-oxo-1,3,2$l^{5}-dioxaphosphinan-2-yl)methyl]-5,5-dimethyl-1,3,2$l^{5}-dioxaphosphinan-2-one
• IUPAC Traditional name: 2-[(5,5-dimethyl-2-oxo-1,3,2$l^{5}-dioxaphosphinan-2-yl)methyl]-5,5-dimethyl-1,3,2$l^{5}-dioxaphosphinan-2-one
• Synonyms: 2-[(5,5-dimethyl-2-oxo-1,3,2lambda~5~-dioxaphosphinan-2-yl)methyl]-5,5-dimethyl-1,3,2lambda~5~-dioxaphosphinan-2-one

Database IDs

• MDL Number: MFCD00830415
• PubChem SID: 162069132
• PubChem CID: 2778008

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.66674
• LogD (pH = 7.4): 1.66674
• Log P: 1.66674
• Molar Refractivity: 69.1191 cm^3
• Polarizability: 29.071102 Å^3
• Polar Surface Area: 71.06 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true