1-diphenylphosphorylpropoxy(trimethyl)silane

C18H25O2PSi — CID 12930453

IUPAC1-diphenylphosphorylpropoxy(trimethyl)silane
SMILESCCC(O[Si](C)(C)C)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H25O2PSi/c1-5-18(20-22(2,3)4)21(19,16-12-8-6-9-13-16)17-14-10-7-11-15-17/h6-15,18H,5H2,1-4H3
InChIKeyVICFBYRHDIOCFH-UHFFFAOYSA-N
MW332.46 g/mol
LogP4.59
Rot. Bonds6

About 1-diphenylphosphorylpropoxy(trimethyl)silane

1-diphenylphosphorylpropoxy(trimethyl)silane (PubChem CID 12930453) has the molecular formula C18H25O2PSi and a molecular weight of 332.46 g/mol. Its IUPAC name is 1-diphenylphosphorylpropoxy(trimethyl)silane.

Molecular Properties

Compound Name1-diphenylphosphorylpropoxy(trimethyl)silane
PubChem CID12930453
Molecular FormulaC18H25O2PSi
Molecular Weight332.46 g/mol
Exact Mass332.14
IUPAC Name1-diphenylphosphorylpropoxy(trimethyl)silane
SMILESCCC(O[Si](C)(C)C)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H25O2PSi/c1-5-18(20-22(2,3)4)21(19,16-12-8-6-9-13-16)17-14-10-7-11-15-17/h6-15,18H,5H2,1-4H3
InChIKeyVICFBYRHDIOCFH-UHFFFAOYSA-N
XLogP4.59
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.46
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-diphenylphosphorylpropoxy(trimethyl)silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-diphenylphosphorylpropoxy(trimethyl)silane?
The IUPAC name of 1-diphenylphosphorylpropoxy(trimethyl)silane (CID 12930453) is 1-diphenylphosphorylpropoxy(trimethyl)silane.
What is the SMILES notation for 1-diphenylphosphorylpropoxy(trimethyl)silane?
The canonical SMILES for 1-diphenylphosphorylpropoxy(trimethyl)silane is CCC(O[Si](C)(C)C)P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-diphenylphosphorylpropoxy(trimethyl)silane?
The InChIKey is VICFBYRHDIOCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25O2PSi/c1-5-18(20-22(2,3)4)21(19,16-12-8-6-9-13-16)17-14-10-7-11-15-17/h6-15,18H,5H2,1-4H3.
What are the key properties of 1-diphenylphosphorylpropoxy(trimethyl)silane?
1-diphenylphosphorylpropoxy(trimethyl)silane has a molecular weight of 332.46 g/mol, XLogP of 4.59, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diphenylphosphorylpropoxy(trimethyl)silane is sourced from PubChem (CID 12930453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).