2,2,2-trimethoxy-4,5-dimethyl-2H-1,3,2λ5-dioxaphosphole

• ChemBase ID: 295857
• Molecular Formular: C7H15O5P
• Molecular Mass: 210.164761
• Monoisotopic Mass: 210.06571021
• SMILES: CC1=C(OP(O1)(OC)(OC)OC)C
• Canonical SMILES: COP1(OC)(OC)OC(=C(O1)C)C
• InChI: InChI=1S/C7H15O5P/c1-6-7(2)12-13(8-3,9-4,10-5)11-6/h1-5H3
• InChIKey: FMHPXHSMBAZDOS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2,2-trimethoxy-4,5-dimethyl-2H-1,3,2λ^5-dioxaphosphole
• IUPAC Traditional name: 2,2,2-trimethoxy-4,5-dimethyl-1,3,2λ^5-dioxaphosphole
• Synonyms: 2,3-Dihydro-2,2,2-trimethoxy-4,5-dimethyl-1,3,2-dioxaphophole; 2,2,2-Trimethoxy-4,5-dimethyl-1,3,2-dioxaphospholene; 2,2,2-三甲氧基-4,5-二甲基-1,3,2-二氧环磷烯

Database IDs

• CAS Number: 1665-79-8
• EC Number: 216-779-7
• MDL Number: MFCD00014510
• PubChem SID: 180681388
• PubChem CID: 74272

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.0737
• LogD (pH = 7.4): 2.0737
• Log P: 2.0737
• Molar Refractivity: 49.4813 cm^3
• Polarizability: 19.69972 Å^3
• Polar Surface Area: 46.15 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 64-66°C/1mm

Safety Information

• TSCA Listed: 是

Product Information

• Purity: 97%