tris(1-diphenylsilyl-2-methylpropan-2-yl) phosphate

C48H57O4PSi3 — CID 173063227

IUPACtris(1-diphenylsilyl-2-methylpropan-2-yl) phosphate
SMILESCC(C)(C[SiH](c1ccccc1)c1ccccc1)OP(=O)(OC(C)(C)C[SiH](c1ccccc1)c1ccccc1)OC(C)(C)C[SiH](c1ccccc1)c1ccccc1
InChIInChI=1S/C48H57O4PSi3/c1-46(2,37-54(40-25-13-7-14-26-40)41-27-15-8-16-28-41)50-53(49,51-47(3,4)38-55(42-29-17-9-18-30-42)43-31-19-10-20-32-43)52-48(5,6)39-56(44-33-21-11-22-34-44)45-35-23-12-24-36-45/h7-36,54-56H,37-39H2,1-6H3
InChIKeySADCCWJQMULCKD-UHFFFAOYSA-N
MW813.21 g/mol
LogP7.60
Rot. Bonds18

About tris(1-diphenylsilyl-2-methylpropan-2-yl) phosphate

tris(1-diphenylsilyl-2-methylpropan-2-yl) phosphate (PubChem CID 173063227) has the molecular formula C48H57O4PSi3 and a molecular weight of 813.21 g/mol. Its IUPAC name is tris(1-diphenylsilyl-2-methylpropan-2-yl) phosphate.

Molecular Properties

Compound Nametris(1-diphenylsilyl-2-methylpropan-2-yl) phosphate
PubChem CID173063227
Molecular FormulaC48H57O4PSi3
Molecular Weight813.21 g/mol
Exact Mass812.33
IUPAC Nametris(1-diphenylsilyl-2-methylpropan-2-yl) phosphate
SMILESCC(C)(C[SiH](c1ccccc1)c1ccccc1)OP(=O)(OC(C)(C)C[SiH](c1ccccc1)c1ccccc1)OC(C)(C)C[SiH](c1ccccc1)c1ccccc1
InChIInChI=1S/C48H57O4PSi3/c1-46(2,37-54(40-25-13-7-14-26-40)41-27-15-8-16-28-41)50-53(49,51-47(3,4)38-55(42-29-17-9-18-30-42)43-31-19-10-20-32-43)52-48(5,6)39-56(44-33-21-11-22-34-44)45-35-23-12-24-36-45/h7-36,54-56H,37-39H2,1-6H3
InChIKeySADCCWJQMULCKD-UHFFFAOYSA-N
XLogP7.60
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500813.21
LogP ≤ 57.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tris(1,1,3-tribromo-2,2-dimethyl-3,3-diphenylpropyl) phosphate
CID 139650290
bis(2-methylbutan-2-yl) phenyl phosphate
CID 174786523
tris(1,2-diphenylpropan-2-yl) phosphate
CID 139725545
tris[1,1-bis(2-tert-butylphenyl)ethyl] phosphate
CID 87292388
ethenyl-(2-methyl-1-phenylpropan-2-yl)oxyphosphinic acid
CID 172803061
phenyl 2,4,4-trimethylpentan-2-yl hydrogen phosphate
CID 20505103
N-diphenylsilyl-2-methylpropan-2-amine
CID 101496715
tris(1,1-diphenyltridecyl) phosphate
CID 87921329
phosphoric acid;2,4,4-trimethylpentan-2-yloxybenzene
CID 156565005
tris[1-[4-(1-butoxyethyl)phenoxy]-1-phenoxyethyl] phosphate
CID 169275480
2-[tert-butyl(phenyl)phosphoryl]phenol
CID 127258156
[1-(benzylamino)-2,2-dimethylpropyl]phosphonic acid
CID 130623996

Frequently Asked Questions

What is the IUPAC name of tris(1-diphenylsilyl-2-methylpropan-2-yl) phosphate?
The IUPAC name of tris(1-diphenylsilyl-2-methylpropan-2-yl) phosphate (CID 173063227) is tris(1-diphenylsilyl-2-methylpropan-2-yl) phosphate.
What is the SMILES notation for tris(1-diphenylsilyl-2-methylpropan-2-yl) phosphate?
The canonical SMILES for tris(1-diphenylsilyl-2-methylpropan-2-yl) phosphate is CC(C)(C[SiH](c1ccccc1)c1ccccc1)OP(=O)(OC(C)(C)C[SiH](c1ccccc1)c1ccccc1)OC(C)(C)C[SiH](c1ccccc1)c1ccccc1.
What is the InChIKey of tris(1-diphenylsilyl-2-methylpropan-2-yl) phosphate?
The InChIKey is SADCCWJQMULCKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H57O4PSi3/c1-46(2,37-54(40-25-13-7-14-26-40)41-27-15-8-16-28-41)50-53(49,51-47(3,4)38-55(42-29-17-9-18-30-42)43-31-19-10-20-32-43)52-48(5,6)39-56(44-33-21-11-22-34-44)45-35-23-12-24-36-45/h7-36,54-56H,37-39H2,1-6H3.
What are the key properties of tris(1-diphenylsilyl-2-methylpropan-2-yl) phosphate?
tris(1-diphenylsilyl-2-methylpropan-2-yl) phosphate has a molecular weight of 813.21 g/mol, XLogP of 7.60, 18 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tris(1-diphenylsilyl-2-methylpropan-2-yl) phosphate is sourced from PubChem (CID 173063227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).