tributoxy-(4-tributoxysilylphenyl)silane;tri(propan-2-yloxy)-[4-tri(propan-2-yloxy)silylphenyl]silane

C54H104O12Si4 — CID 87873326

About tributoxy-(4-tributoxysilylphenyl)silane;tri(propan-2-yloxy)-[4-tri(propan-2-yloxy)silylphenyl]silane

tributoxy-(4-tributoxysilylphenyl)silane;tri(propan-2-yloxy)-[4-tri(propan-2-yloxy)silylphenyl]silane (PubChem CID 87873326) has the molecular formula C54H104O12Si4 and a molecular weight of 1057.76 g/mol. Its IUPAC name is tributoxy-(4-tributoxysilylphenyl)silane;tri(propan-2-yloxy)-[4-tri(propan-2-yloxy)silylphenyl]silane.

Molecular Properties

• Compound Name: tributoxy-(4-tributoxysilylphenyl)silane;tri(propan-2-yloxy)-[4-tri(propan-2-yloxy)silylphenyl]silane
• PubChem CID: 87873326
• Molecular Formula: C54H104O12Si4
• Molecular Weight: 1057.76 g/mol
• Exact Mass: 1056.66
• IUPAC Name: tributoxy-(4-tributoxysilylphenyl)silane;tri(propan-2-yloxy)-[4-tri(propan-2-yloxy)silylphenyl]silane
• SMILES: CC(C)O[Si](OC(C)C)(OC(C)C)c1ccc([Si](OC(C)C)(OC(C)C)OC(C)C)cc1.CCCCO[Si](OCCCC)(OCCCC)c1ccc([Si](OCCCC)(OCCCC)OCCCC)cc1
• InChI: InChI=1S/C30H58O6Si2.C24H46O6Si2/c1-7-13-23-31-37(32-24-14-8-2,33-25-15-9-3)29-19-21-30(22-20-29)38(34-26-16-10-4,35-27-17-11-5)36-28-18-12-6;1-17(2)25-31(26-18(3)4,27-19(5)6)23-13-15-24(16-14-23)32(28-20(7)8,29-21(9)10)30-22(11)12/h19-22H,7-18,23-28H2,1-6H3;13-22H,1-12H3
• InChIKey: FUISBLKIROJPOZ-UHFFFAOYSA-N
• XLogP: 11.41
• TPSA: 110.76 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 40
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1057.76
LogP ≤ 5	11.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tributoxy-(4-tributoxysilylphenyl)silane;tri(propan-2-yloxy)-[4-tri(propan-2-yloxy)silylphenyl]silane?

The IUPAC name of tributoxy-(4-tributoxysilylphenyl)silane;tri(propan-2-yloxy)-[4-tri(propan-2-yloxy)silylphenyl]silane (CID 87873326) is tributoxy-(4-tributoxysilylphenyl)silane;tri(propan-2-yloxy)-[4-tri(propan-2-yloxy)silylphenyl]silane.

What is the SMILES notation for tributoxy-(4-tributoxysilylphenyl)silane;tri(propan-2-yloxy)-[4-tri(propan-2-yloxy)silylphenyl]silane?

The canonical SMILES for tributoxy-(4-tributoxysilylphenyl)silane;tri(propan-2-yloxy)-[4-tri(propan-2-yloxy)silylphenyl]silane is CC(C)O[Si](OC(C)C)(OC(C)C)c1ccc([Si](OC(C)C)(OC(C)C)OC(C)C)cc1.CCCCO[Si](OCCCC)(OCCCC)c1ccc([Si](OCCCC)(OCCCC)OCCCC)cc1.

What is the InChIKey of tributoxy-(4-tributoxysilylphenyl)silane;tri(propan-2-yloxy)-[4-tri(propan-2-yloxy)silylphenyl]silane?

The InChIKey is FUISBLKIROJPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H58O6Si2.C24H46O6Si2/c1-7-13-23-31-37(32-24-14-8-2,33-25-15-9-3)29-19-21-30(22-20-29)38(34-26-16-10-4,35-27-17-11-5)36-28-18-12-6;1-17(2)25-31(26-18(3)4,27-19(5)6)23-13-15-24(16-14-23)32(28-20(7)8,29-21(9)10)30-22(11)12/h19-22H,7-18,23-28H2,1-6H3;13-22H,1-12H3.

What are the key properties of tributoxy-(4-tributoxysilylphenyl)silane;tri(propan-2-yloxy)-[4-tri(propan-2-yloxy)silylphenyl]silane?

tributoxy-(4-tributoxysilylphenyl)silane;tri(propan-2-yloxy)-[4-tri(propan-2-yloxy)silylphenyl]silane has a molecular weight of 1057.76 g/mol, XLogP of 11.41, 40 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for tributoxy-(4-tributoxysilylphenyl)silane;tri(propan-2-yloxy)-[4-tri(propan-2-yloxy)silylphenyl]silane is sourced from PubChem (CID 87873326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).