[3-(4-diethoxyphosphorylphenoxy)-2-methylpropyl]-triethoxysilane

C20H37O7PSi — CID 122226859

IUPAC[3-(4-diethoxyphosphorylphenoxy)-2-methylpropyl]-triethoxysilane
SMILESCCO[Si](CC(C)COc1ccc(P(=O)(OCC)OCC)cc1)(OCC)OCC
InChIInChI=1S/C20H37O7PSi/c1-7-23-28(21,24-8-2)20-14-12-19(13-15-20)22-16-18(6)17-29(25-9-3,26-10-4)27-11-5/h12-15,18H,7-11,16-17H2,1-6H3
InChIKeyFFGZELPWLRIIST-UHFFFAOYSA-N
MW448.57 g/mol
LogP4.64
Rot. Bonds16

About [3-(4-diethoxyphosphorylphenoxy)-2-methylpropyl]-triethoxysilane

[3-(4-diethoxyphosphorylphenoxy)-2-methylpropyl]-triethoxysilane (PubChem CID 122226859) has the molecular formula C20H37O7PSi and a molecular weight of 448.57 g/mol. Its IUPAC name is [3-(4-diethoxyphosphorylphenoxy)-2-methylpropyl]-triethoxysilane.

Molecular Properties

Compound Name[3-(4-diethoxyphosphorylphenoxy)-2-methylpropyl]-triethoxysilane
PubChem CID122226859
Molecular FormulaC20H37O7PSi
Molecular Weight448.57 g/mol
Exact Mass448.20
IUPAC Name[3-(4-diethoxyphosphorylphenoxy)-2-methylpropyl]-triethoxysilane
SMILESCCO[Si](CC(C)COc1ccc(P(=O)(OCC)OCC)cc1)(OCC)OCC
InChIInChI=1S/C20H37O7PSi/c1-7-23-28(21,24-8-2)20-14-12-19(13-15-20)22-16-18(6)17-29(25-9-3,26-10-4)27-11-5/h12-15,18H,7-11,16-17H2,1-6H3
InChIKeyFFGZELPWLRIIST-UHFFFAOYSA-N
XLogP4.64
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 54.64
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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Related Compounds

5-diethoxyphosphoryl-2-(5-diethoxyphosphoryl-2-pyridinyl)pyridine
CID 53249416
(4-diethoxyphosphorylphenyl)-(4-methoxyphenyl)methanamine
CID 89463039
4-diethoxyphosphorylbenzonitrile
CID 3613497
tris(4-diethoxyphosphorylphenyl)phosphane
CID 10675951
1-diethoxyphosphoryl-3-(difluoromethyl)benzene
CID 166609915
1-diethoxyphosphoryl-4-phenylbenzene
CID 12670613
4-diethoxyphosphoryl-N-ethylaniline
CID 23415640
3-(4-ethoxyphenoxy)-2-methylpropan-1-ol
CID 112507833
2-diethoxyphosphoryl-5-propan-2-ylpyridine
CID 176650891
2-(4-diethoxyphosphorylphenyl)-4-methylpyridine
CID 138627774
1-[4-(diethoxyphosphorylmethoxy)phenyl]ethanol
CID 59810700
[ethoxy(phenyl)phosphoryl]oxybenzene
CID 12735424

Frequently Asked Questions

What is the IUPAC name of [3-(4-diethoxyphosphorylphenoxy)-2-methylpropyl]-triethoxysilane?
The IUPAC name of [3-(4-diethoxyphosphorylphenoxy)-2-methylpropyl]-triethoxysilane (CID 122226859) is [3-(4-diethoxyphosphorylphenoxy)-2-methylpropyl]-triethoxysilane.
What is the SMILES notation for [3-(4-diethoxyphosphorylphenoxy)-2-methylpropyl]-triethoxysilane?
The canonical SMILES for [3-(4-diethoxyphosphorylphenoxy)-2-methylpropyl]-triethoxysilane is CCO[Si](CC(C)COc1ccc(P(=O)(OCC)OCC)cc1)(OCC)OCC.
What is the InChIKey of [3-(4-diethoxyphosphorylphenoxy)-2-methylpropyl]-triethoxysilane?
The InChIKey is FFGZELPWLRIIST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37O7PSi/c1-7-23-28(21,24-8-2)20-14-12-19(13-15-20)22-16-18(6)17-29(25-9-3,26-10-4)27-11-5/h12-15,18H,7-11,16-17H2,1-6H3.
What are the key properties of [3-(4-diethoxyphosphorylphenoxy)-2-methylpropyl]-triethoxysilane?
[3-(4-diethoxyphosphorylphenoxy)-2-methylpropyl]-triethoxysilane has a molecular weight of 448.57 g/mol, XLogP of 4.64, 16 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-diethoxyphosphorylphenoxy)-2-methylpropyl]-triethoxysilane is sourced from PubChem (CID 122226859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).