3-[[methyl(diphenyl)silyl]oxy-phenyl-trimethylsilyloxysilyl]propyl 2-methylprop-2-enoate

C29H38O4Si3 — CID 18739231

IUPAC3-[[methyl(diphenyl)silyl]oxy-phenyl-trimethylsilyloxysilyl]propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC[Si](O[Si](C)(C)C)(O[Si](C)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C29H38O4Si3/c1-25(2)29(30)31-23-16-24-36(32-34(3,4)5,28-21-14-9-15-22-28)33-35(6,26-17-10-7-11-18-26)27-19-12-8-13-20-27/h7-15,17-22H,1,16,23-24H2,2-6H3
InChIKeyREIUMSLRZZHPGA-UHFFFAOYSA-N
MW534.88 g/mol
LogP5.10
Rot. Bonds12

About 3-[[methyl(diphenyl)silyl]oxy-phenyl-trimethylsilyloxysilyl]propyl 2-methylprop-2-enoate

3-[[methyl(diphenyl)silyl]oxy-phenyl-trimethylsilyloxysilyl]propyl 2-methylprop-2-enoate (PubChem CID 18739231) has the molecular formula C29H38O4Si3 and a molecular weight of 534.88 g/mol. Its IUPAC name is 3-[[methyl(diphenyl)silyl]oxy-phenyl-trimethylsilyloxysilyl]propyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name3-[[methyl(diphenyl)silyl]oxy-phenyl-trimethylsilyloxysilyl]propyl 2-methylprop-2-enoate
PubChem CID18739231
Molecular FormulaC29H38O4Si3
Molecular Weight534.88 g/mol
Exact Mass534.21
IUPAC Name3-[[methyl(diphenyl)silyl]oxy-phenyl-trimethylsilyloxysilyl]propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC[Si](O[Si](C)(C)C)(O[Si](C)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C29H38O4Si3/c1-25(2)29(30)31-23-16-24-36(32-34(3,4)5,28-21-14-9-15-22-28)33-35(6,26-17-10-7-11-18-26)27-19-12-8-13-20-27/h7-15,17-22H,1,16,23-24H2,2-6H3
InChIKeyREIUMSLRZZHPGA-UHFFFAOYSA-N
XLogP5.10
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.88
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[methyl(diphenyl)silyl]oxy-phenyl-trimethylsilyloxysilyl]propyl 2-methylprop-2-enoate?
The IUPAC name of 3-[[methyl(diphenyl)silyl]oxy-phenyl-trimethylsilyloxysilyl]propyl 2-methylprop-2-enoate (CID 18739231) is 3-[[methyl(diphenyl)silyl]oxy-phenyl-trimethylsilyloxysilyl]propyl 2-methylprop-2-enoate.
What is the SMILES notation for 3-[[methyl(diphenyl)silyl]oxy-phenyl-trimethylsilyloxysilyl]propyl 2-methylprop-2-enoate?
The canonical SMILES for 3-[[methyl(diphenyl)silyl]oxy-phenyl-trimethylsilyloxysilyl]propyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCC[Si](O[Si](C)(C)C)(O[Si](C)(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of 3-[[methyl(diphenyl)silyl]oxy-phenyl-trimethylsilyloxysilyl]propyl 2-methylprop-2-enoate?
The InChIKey is REIUMSLRZZHPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38O4Si3/c1-25(2)29(30)31-23-16-24-36(32-34(3,4)5,28-21-14-9-15-22-28)33-35(6,26-17-10-7-11-18-26)27-19-12-8-13-20-27/h7-15,17-22H,1,16,23-24H2,2-6H3.
What are the key properties of 3-[[methyl(diphenyl)silyl]oxy-phenyl-trimethylsilyloxysilyl]propyl 2-methylprop-2-enoate?
3-[[methyl(diphenyl)silyl]oxy-phenyl-trimethylsilyloxysilyl]propyl 2-methylprop-2-enoate has a molecular weight of 534.88 g/mol, XLogP of 5.10, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl(diphenyl)silyl]oxy-phenyl-trimethylsilyloxysilyl]propyl 2-methylprop-2-enoate is sourced from PubChem (CID 18739231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).