trimethylsilyl 2-bis(trimethylsilyloxy)phosphoryloxy-3-trimethylsilyloxypropanoate

C15H39O7PSi4 — CID 553778

IUPACtrimethylsilyl 2-bis(trimethylsilyloxy)phosphoryloxy-3-trimethylsilyloxypropanoate
SMILESC[Si](C)(C)OCC(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C15H39O7PSi4/c1-24(2,3)18-13-14(15(16)20-25(4,5)6)19-23(17,21-26(7,8)9)22-27(10,11)12/h14H,13H2,1-12H3
InChIKeyIRENEPHXOZARAB-UHFFFAOYSA-N
MW474.79 g/mol
LogP5.41
Rot. Bonds11

About trimethylsilyl 2-bis(trimethylsilyloxy)phosphoryloxy-3-trimethylsilyloxypropanoate

trimethylsilyl 2-bis(trimethylsilyloxy)phosphoryloxy-3-trimethylsilyloxypropanoate (PubChem CID 553778) has the molecular formula C15H39O7PSi4 and a molecular weight of 474.79 g/mol. Its IUPAC name is trimethylsilyl 2-bis(trimethylsilyloxy)phosphoryloxy-3-trimethylsilyloxypropanoate.

Molecular Properties

Compound Nametrimethylsilyl 2-bis(trimethylsilyloxy)phosphoryloxy-3-trimethylsilyloxypropanoate
PubChem CID553778
Molecular FormulaC15H39O7PSi4
Molecular Weight474.79 g/mol
Exact Mass474.15
IUPAC Nametrimethylsilyl 2-bis(trimethylsilyloxy)phosphoryloxy-3-trimethylsilyloxypropanoate
SMILESC[Si](C)(C)OCC(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C15H39O7PSi4/c1-24(2,3)18-13-14(15(16)20-25(4,5)6)19-23(17,21-26(7,8)9)22-27(10,11)12/h14H,13H2,1-12H3
InChIKeyIRENEPHXOZARAB-UHFFFAOYSA-N
XLogP5.41
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.79
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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 trimethylsilyl 2-bis(trimethylsilyloxy)phosphoryloxy-3-trimethylsilyloxypropanoate?
The IUPAC name of trimethylsilyl 2-bis(trimethylsilyloxy)phosphoryloxy-3-trimethylsilyloxypropanoate (CID 553778) is trimethylsilyl 2-bis(trimethylsilyloxy)phosphoryloxy-3-trimethylsilyloxypropanoate.
What is the SMILES notation for trimethylsilyl 2-bis(trimethylsilyloxy)phosphoryloxy-3-trimethylsilyloxypropanoate?
The canonical SMILES for trimethylsilyl 2-bis(trimethylsilyloxy)phosphoryloxy-3-trimethylsilyloxypropanoate is C[Si](C)(C)OCC(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 2-bis(trimethylsilyloxy)phosphoryloxy-3-trimethylsilyloxypropanoate?
The InChIKey is IRENEPHXOZARAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H39O7PSi4/c1-24(2,3)18-13-14(15(16)20-25(4,5)6)19-23(17,21-26(7,8)9)22-27(10,11)12/h14H,13H2,1-12H3.
What are the key properties of trimethylsilyl 2-bis(trimethylsilyloxy)phosphoryloxy-3-trimethylsilyloxypropanoate?
trimethylsilyl 2-bis(trimethylsilyloxy)phosphoryloxy-3-trimethylsilyloxypropanoate has a molecular weight of 474.79 g/mol, XLogP of 5.41, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 2-bis(trimethylsilyloxy)phosphoryloxy-3-trimethylsilyloxypropanoate is sourced from PubChem (CID 553778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).