bis[2-oxo-2-tri(propan-2-yl)silyloxyethyl]phosphinic acid

C22H47O6PSi2 — CID 58473372

IUPACbis[2-oxo-2-tri(propan-2-yl)silyloxyethyl]phosphinic acid
SMILESCC(C)[Si](OC(=O)CP(=O)(O)CC(=O)O[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C22H47O6PSi2/c1-15(2)30(16(3)4,17(5)6)27-21(23)13-29(25,26)14-22(24)28-31(18(7)8,19(9)10)20(11)12/h15-20H,13-14H2,1-12H3,(H,25,26)
InChIKeyOSHRSGLYVOTGBI-UHFFFAOYSA-N
MW494.76 g/mol
LogP6.69
Rot. Bonds12

About bis[2-oxo-2-tri(propan-2-yl)silyloxyethyl]phosphinic acid

bis[2-oxo-2-tri(propan-2-yl)silyloxyethyl]phosphinic acid (PubChem CID 58473372) has the molecular formula C22H47O6PSi2 and a molecular weight of 494.76 g/mol. Its IUPAC name is bis[2-oxo-2-tri(propan-2-yl)silyloxyethyl]phosphinic acid.

Molecular Properties

Compound Namebis[2-oxo-2-tri(propan-2-yl)silyloxyethyl]phosphinic acid
PubChem CID58473372
Molecular FormulaC22H47O6PSi2
Molecular Weight494.76 g/mol
Exact Mass494.26
IUPAC Namebis[2-oxo-2-tri(propan-2-yl)silyloxyethyl]phosphinic acid
SMILESCC(C)[Si](OC(=O)CP(=O)(O)CC(=O)O[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C22H47O6PSi2/c1-15(2)30(16(3)4,17(5)6)27-21(23)13-29(25,26)14-22(24)28-31(18(7)8,19(9)10)20(11)12/h15-20H,13-14H2,1-12H3,(H,25,26)
InChIKeyOSHRSGLYVOTGBI-UHFFFAOYSA-N
XLogP6.69
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.76
LogP ≤ 56.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis[2-oxo-2-tri(propan-2-yl)silyloxyethyl]phosphinic acid?
The IUPAC name of bis[2-oxo-2-tri(propan-2-yl)silyloxyethyl]phosphinic acid (CID 58473372) is bis[2-oxo-2-tri(propan-2-yl)silyloxyethyl]phosphinic acid.
What is the SMILES notation for bis[2-oxo-2-tri(propan-2-yl)silyloxyethyl]phosphinic acid?
The canonical SMILES for bis[2-oxo-2-tri(propan-2-yl)silyloxyethyl]phosphinic acid is CC(C)[Si](OC(=O)CP(=O)(O)CC(=O)O[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C.
What is the InChIKey of bis[2-oxo-2-tri(propan-2-yl)silyloxyethyl]phosphinic acid?
The InChIKey is OSHRSGLYVOTGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H47O6PSi2/c1-15(2)30(16(3)4,17(5)6)27-21(23)13-29(25,26)14-22(24)28-31(18(7)8,19(9)10)20(11)12/h15-20H,13-14H2,1-12H3,(H,25,26).
What are the key properties of bis[2-oxo-2-tri(propan-2-yl)silyloxyethyl]phosphinic acid?
bis[2-oxo-2-tri(propan-2-yl)silyloxyethyl]phosphinic acid has a molecular weight of 494.76 g/mol, XLogP of 6.69, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-oxo-2-tri(propan-2-yl)silyloxyethyl]phosphinic acid is sourced from PubChem (CID 58473372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).