2-[[3-(diethoxyphosphorylmethyl)-5-methoxyphenoxy]methoxy]ethyl-trimethylsilane

C18H33O6PSi — CID 175357377

IUPAC2-[[3-(diethoxyphosphorylmethyl)-5-methoxyphenoxy]methoxy]ethyl-trimethylsilane
SMILESCCOP(=O)(Cc1cc(OC)cc(OCOCC[Si](C)(C)C)c1)OCC
InChIInChI=1S/C18H33O6PSi/c1-7-23-25(19,24-8-2)14-16-11-17(20-3)13-18(12-16)22-15-21-9-10-26(4,5)6/h11-13H,7-10,14-15H2,1-6H3
InChIKeyQWHDHQXDQJENDO-UHFFFAOYSA-N
MW404.52 g/mol
LogP5.15
Rot. Bonds13

About 2-[[3-(diethoxyphosphorylmethyl)-5-methoxyphenoxy]methoxy]ethyl-trimethylsilane

2-[[3-(diethoxyphosphorylmethyl)-5-methoxyphenoxy]methoxy]ethyl-trimethylsilane (PubChem CID 175357377) has the molecular formula C18H33O6PSi and a molecular weight of 404.52 g/mol. Its IUPAC name is 2-[[3-(diethoxyphosphorylmethyl)-5-methoxyphenoxy]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[3-(diethoxyphosphorylmethyl)-5-methoxyphenoxy]methoxy]ethyl-trimethylsilane
PubChem CID175357377
Molecular FormulaC18H33O6PSi
Molecular Weight404.52 g/mol
Exact Mass404.18
IUPAC Name2-[[3-(diethoxyphosphorylmethyl)-5-methoxyphenoxy]methoxy]ethyl-trimethylsilane
SMILESCCOP(=O)(Cc1cc(OC)cc(OCOCC[Si](C)(C)C)c1)OCC
InChIInChI=1S/C18H33O6PSi/c1-7-23-25(19,24-8-2)14-16-11-17(20-3)13-18(12-16)22-15-21-9-10-26(4,5)6/h11-13H,7-10,14-15H2,1-6H3
InChIKeyQWHDHQXDQJENDO-UHFFFAOYSA-N
XLogP5.15
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.52
LogP ≤ 55.15
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': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 2-[[3-(diethoxyphosphorylmethyl)-5-methoxyphenoxy]methoxy]ethyl-trimethylsilane 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 2-[[3-(diethoxyphosphorylmethyl)-5-methoxyphenoxy]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[3-(diethoxyphosphorylmethyl)-5-methoxyphenoxy]methoxy]ethyl-trimethylsilane (CID 175357377) is 2-[[3-(diethoxyphosphorylmethyl)-5-methoxyphenoxy]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[3-(diethoxyphosphorylmethyl)-5-methoxyphenoxy]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[3-(diethoxyphosphorylmethyl)-5-methoxyphenoxy]methoxy]ethyl-trimethylsilane is CCOP(=O)(Cc1cc(OC)cc(OCOCC[Si](C)(C)C)c1)OCC.
What is the InChIKey of 2-[[3-(diethoxyphosphorylmethyl)-5-methoxyphenoxy]methoxy]ethyl-trimethylsilane?
The InChIKey is QWHDHQXDQJENDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33O6PSi/c1-7-23-25(19,24-8-2)14-16-11-17(20-3)13-18(12-16)22-15-21-9-10-26(4,5)6/h11-13H,7-10,14-15H2,1-6H3.
What are the key properties of 2-[[3-(diethoxyphosphorylmethyl)-5-methoxyphenoxy]methoxy]ethyl-trimethylsilane?
2-[[3-(diethoxyphosphorylmethyl)-5-methoxyphenoxy]methoxy]ethyl-trimethylsilane has a molecular weight of 404.52 g/mol, XLogP of 5.15, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(diethoxyphosphorylmethyl)-5-methoxyphenoxy]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 175357377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).