trimethylsilyl bis(3-trimethylsilyloxypropyl) phosphate

C15H39O6PSi3 — CID 552955

IUPACtrimethylsilyl bis(3-trimethylsilyloxypropyl) phosphate
SMILESC[Si](C)(C)OCCCOP(=O)(OCCCO[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C15H39O6PSi3/c1-23(2,3)19-14-10-12-17-22(16,21-25(7,8)9)18-13-11-15-20-24(4,5)6/h10-15H2,1-9H3
InChIKeyDMHIAAIIWLEFNE-UHFFFAOYSA-N
MW430.70 g/mol
LogP5.46
Rot. Bonds14

About trimethylsilyl bis(3-trimethylsilyloxypropyl) phosphate

trimethylsilyl bis(3-trimethylsilyloxypropyl) phosphate (PubChem CID 552955) has the molecular formula C15H39O6PSi3 and a molecular weight of 430.70 g/mol. Its IUPAC name is trimethylsilyl bis(3-trimethylsilyloxypropyl) phosphate.

Molecular Properties

Compound Nametrimethylsilyl bis(3-trimethylsilyloxypropyl) phosphate
PubChem CID552955
Molecular FormulaC15H39O6PSi3
Molecular Weight430.70 g/mol
Exact Mass430.18
IUPAC Nametrimethylsilyl bis(3-trimethylsilyloxypropyl) phosphate
SMILESC[Si](C)(C)OCCCOP(=O)(OCCCO[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C15H39O6PSi3/c1-23(2,3)19-14-10-12-17-22(16,21-25(7,8)9)18-13-11-15-20-24(4,5)6/h10-15H2,1-9H3
InChIKeyDMHIAAIIWLEFNE-UHFFFAOYSA-N
XLogP5.46
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.70
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 bis(3-trimethylsilyloxypropyl) phosphate?
The IUPAC name of trimethylsilyl bis(3-trimethylsilyloxypropyl) phosphate (CID 552955) is trimethylsilyl bis(3-trimethylsilyloxypropyl) phosphate.
What is the SMILES notation for trimethylsilyl bis(3-trimethylsilyloxypropyl) phosphate?
The canonical SMILES for trimethylsilyl bis(3-trimethylsilyloxypropyl) phosphate is C[Si](C)(C)OCCCOP(=O)(OCCCO[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl bis(3-trimethylsilyloxypropyl) phosphate?
The InChIKey is DMHIAAIIWLEFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H39O6PSi3/c1-23(2,3)19-14-10-12-17-22(16,21-25(7,8)9)18-13-11-15-20-24(4,5)6/h10-15H2,1-9H3.
What are the key properties of trimethylsilyl bis(3-trimethylsilyloxypropyl) phosphate?
trimethylsilyl bis(3-trimethylsilyloxypropyl) phosphate has a molecular weight of 430.70 g/mol, XLogP of 5.46, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl bis(3-trimethylsilyloxypropyl) phosphate is sourced from PubChem (CID 552955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).