tert-butyl-(3-dimethoxyphosphoryl-3-phenylpropoxy)-dimethylsilane

C17H31O4PSi — CID 15108858

IUPACtert-butyl-(3-dimethoxyphosphoryl-3-phenylpropoxy)-dimethylsilane
SMILESCOP(=O)(OC)C(CCO[Si](C)(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C17H31O4PSi/c1-17(2,3)23(6,7)21-14-13-16(22(18,19-4)20-5)15-11-9-8-10-12-15/h8-12,16H,13-14H2,1-7H3
InChIKeyWLENXQVXPONQAE-UHFFFAOYSA-N
MW358.49 g/mol
LogP5.63
Rot. Bonds8

About tert-butyl-(3-dimethoxyphosphoryl-3-phenylpropoxy)-dimethylsilane

tert-butyl-(3-dimethoxyphosphoryl-3-phenylpropoxy)-dimethylsilane (PubChem CID 15108858) has the molecular formula C17H31O4PSi and a molecular weight of 358.49 g/mol. Its IUPAC name is tert-butyl-(3-dimethoxyphosphoryl-3-phenylpropoxy)-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(3-dimethoxyphosphoryl-3-phenylpropoxy)-dimethylsilane
PubChem CID15108858
Molecular FormulaC17H31O4PSi
Molecular Weight358.49 g/mol
Exact Mass358.17
IUPAC Nametert-butyl-(3-dimethoxyphosphoryl-3-phenylpropoxy)-dimethylsilane
SMILESCOP(=O)(OC)C(CCO[Si](C)(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C17H31O4PSi/c1-17(2,3)23(6,7)21-14-13-16(22(18,19-4)20-5)15-11-9-8-10-12-15/h8-12,16H,13-14H2,1-7H3
InChIKeyWLENXQVXPONQAE-UHFFFAOYSA-N
XLogP5.63
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.49
LogP ≤ 55.63
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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Frequently Asked Questions

What is the IUPAC name of tert-butyl-(3-dimethoxyphosphoryl-3-phenylpropoxy)-dimethylsilane?
The IUPAC name of tert-butyl-(3-dimethoxyphosphoryl-3-phenylpropoxy)-dimethylsilane (CID 15108858) is tert-butyl-(3-dimethoxyphosphoryl-3-phenylpropoxy)-dimethylsilane.
What is the SMILES notation for tert-butyl-(3-dimethoxyphosphoryl-3-phenylpropoxy)-dimethylsilane?
The canonical SMILES for tert-butyl-(3-dimethoxyphosphoryl-3-phenylpropoxy)-dimethylsilane is COP(=O)(OC)C(CCO[Si](C)(C)C(C)(C)C)c1ccccc1.
What is the InChIKey of tert-butyl-(3-dimethoxyphosphoryl-3-phenylpropoxy)-dimethylsilane?
The InChIKey is WLENXQVXPONQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31O4PSi/c1-17(2,3)23(6,7)21-14-13-16(22(18,19-4)20-5)15-11-9-8-10-12-15/h8-12,16H,13-14H2,1-7H3.
What are the key properties of tert-butyl-(3-dimethoxyphosphoryl-3-phenylpropoxy)-dimethylsilane?
tert-butyl-(3-dimethoxyphosphoryl-3-phenylpropoxy)-dimethylsilane has a molecular weight of 358.49 g/mol, XLogP of 5.63, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(3-dimethoxyphosphoryl-3-phenylpropoxy)-dimethylsilane is sourced from PubChem (CID 15108858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).