[4-[[bis[[dimethyl-(4-prop-2-enoyloxyphenyl)silyl]oxy]-phenylsilyl]oxy-dimethylsilyl]phenyl] prop-2-enoate

C39H44O9Si4 — CID 139635359

About [4-[[bis[[dimethyl-(4-prop-2-enoyloxyphenyl)silyl]oxy]-phenylsilyl]oxy-dimethylsilyl]phenyl] prop-2-enoate

[4-[[bis[[dimethyl-(4-prop-2-enoyloxyphenyl)silyl]oxy]-phenylsilyl]oxy-dimethylsilyl]phenyl] prop-2-enoate (PubChem CID 139635359) has the molecular formula C39H44O9Si4 and a molecular weight of 769.12 g/mol. Its IUPAC name is [4-[[bis[[dimethyl-(4-prop-2-enoyloxyphenyl)silyl]oxy]-phenylsilyl]oxy-dimethylsilyl]phenyl] prop-2-enoate.

Molecular Properties

• Compound Name: [4-[[bis[[dimethyl-(4-prop-2-enoyloxyphenyl)silyl]oxy]-phenylsilyl]oxy-dimethylsilyl]phenyl] prop-2-enoate
• PubChem CID: 139635359
• Molecular Formula: C39H44O9Si4
• Molecular Weight: 769.12 g/mol
• Exact Mass: 768.21
• IUPAC Name: [4-[[bis[[dimethyl-(4-prop-2-enoyloxyphenyl)silyl]oxy]-phenylsilyl]oxy-dimethylsilyl]phenyl] prop-2-enoate
• SMILES: C=CC(=O)Oc1ccc([Si](C)(C)O[Si](O[Si](C)(C)c2ccc(OC(=O)C=C)cc2)(O[Si](C)(C)c2ccc(OC(=O)C=C)cc2)c2ccccc2)cc1
• InChI: InChI=1S/C39H44O9Si4/c1-10-37(40)43-30-18-24-33(25-19-30)49(4,5)46-52(36-16-14-13-15-17-36,47-50(6,7)34-26-20-31(21-27-34)44-38(41)11-2)48-51(8,9)35-28-22-32(23-29-35)45-39(42)12-3/h10-29H,1-3H2,4-9H3
• InChIKey: MCEOVESGGNMEQV-UHFFFAOYSA-N
• XLogP: 5.49
• TPSA: 106.59 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 16
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	769.12
LogP ≤ 5	5.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [4-[[bis[[dimethyl-(4-prop-2-enoyloxyphenyl)silyl]oxy]-phenylsilyl]oxy-dimethylsilyl]phenyl] prop-2-enoate?

The IUPAC name of [4-[[bis[[dimethyl-(4-prop-2-enoyloxyphenyl)silyl]oxy]-phenylsilyl]oxy-dimethylsilyl]phenyl] prop-2-enoate (CID 139635359) is [4-[[bis[[dimethyl-(4-prop-2-enoyloxyphenyl)silyl]oxy]-phenylsilyl]oxy-dimethylsilyl]phenyl] prop-2-enoate.

What is the SMILES notation for [4-[[bis[[dimethyl-(4-prop-2-enoyloxyphenyl)silyl]oxy]-phenylsilyl]oxy-dimethylsilyl]phenyl] prop-2-enoate?

The canonical SMILES for [4-[[bis[[dimethyl-(4-prop-2-enoyloxyphenyl)silyl]oxy]-phenylsilyl]oxy-dimethylsilyl]phenyl] prop-2-enoate is C=CC(=O)Oc1ccc([Si](C)(C)O[Si](O[Si](C)(C)c2ccc(OC(=O)C=C)cc2)(O[Si](C)(C)c2ccc(OC(=O)C=C)cc2)c2ccccc2)cc1.

What is the InChIKey of [4-[[bis[[dimethyl-(4-prop-2-enoyloxyphenyl)silyl]oxy]-phenylsilyl]oxy-dimethylsilyl]phenyl] prop-2-enoate?

The InChIKey is MCEOVESGGNMEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H44O9Si4/c1-10-37(40)43-30-18-24-33(25-19-30)49(4,5)46-52(36-16-14-13-15-17-36,47-50(6,7)34-26-20-31(21-27-34)44-38(41)11-2)48-51(8,9)35-28-22-32(23-29-35)45-39(42)12-3/h10-29H,1-3H2,4-9H3.

What are the key properties of [4-[[bis[[dimethyl-(4-prop-2-enoyloxyphenyl)silyl]oxy]-phenylsilyl]oxy-dimethylsilyl]phenyl] prop-2-enoate?

[4-[[bis[[dimethyl-(4-prop-2-enoyloxyphenyl)silyl]oxy]-phenylsilyl]oxy-dimethylsilyl]phenyl] prop-2-enoate has a molecular weight of 769.12 g/mol, XLogP of 5.49, 16 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[[bis[[dimethyl-(4-prop-2-enoyloxyphenyl)silyl]oxy]-phenylsilyl]oxy-dimethylsilyl]phenyl] prop-2-enoate is sourced from PubChem (CID 139635359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).