3-[4-(3-ethoxypropyl)-2,4,6,8-tetramethyl-6,8-bis(3-trimethoxysilylpropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propyl-trimethoxysilane

C27H68O14Si7 — CID 123735987

About 3-[4-(3-ethoxypropyl)-2,4,6,8-tetramethyl-6,8-bis(3-trimethoxysilylpropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propyl-trimethoxysilane

3-[4-(3-ethoxypropyl)-2,4,6,8-tetramethyl-6,8-bis(3-trimethoxysilylpropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propyl-trimethoxysilane (PubChem CID 123735987) has the molecular formula C27H68O14Si7 and a molecular weight of 813.43 g/mol. Its IUPAC name is 3-[4-(3-ethoxypropyl)-2,4,6,8-tetramethyl-6,8-bis(3-trimethoxysilylpropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propyl-trimethoxysilane.

Molecular Properties

• Compound Name: 3-[4-(3-ethoxypropyl)-2,4,6,8-tetramethyl-6,8-bis(3-trimethoxysilylpropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propyl-trimethoxysilane
• PubChem CID: 123735987
• Molecular Formula: C27H68O14Si7
• Molecular Weight: 813.43 g/mol
• Exact Mass: 812.30
• IUPAC Name: 3-[4-(3-ethoxypropyl)-2,4,6,8-tetramethyl-6,8-bis(3-trimethoxysilylpropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propyl-trimethoxysilane
• SMILES: CCOCCC[Si]1(C)O[Si](C)(CCC[Si](OC)(OC)OC)O[Si](C)(CCC[Si](OC)(OC)OC)O[Si](C)(CCC[Si](OC)(OC)OC)O1
• InChI: InChI=1S/C27H68O14Si7/c1-15-37-20-16-21-42(11)38-43(12,22-17-25-46(28-2,29-3)30-4)40-45(14,24-19-27-48(34-8,35-9)36-10)41-44(13,39-42)23-18-26-47(31-5,32-6)33-7/h15-27H2,1-14H3
• InChIKey: VGJGBDWKVUGYNZ-UHFFFAOYSA-N
• XLogP: 5.59
• TPSA: 129.22 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 26
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	813.43
LogP ≤ 5	5.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

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 3-[4-(3-ethoxypropyl)-2,4,6,8-tetramethyl-6,8-bis(3-trimethoxysilylpropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propyl-trimethoxysilane?

The IUPAC name of 3-[4-(3-ethoxypropyl)-2,4,6,8-tetramethyl-6,8-bis(3-trimethoxysilylpropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propyl-trimethoxysilane (CID 123735987) is 3-[4-(3-ethoxypropyl)-2,4,6,8-tetramethyl-6,8-bis(3-trimethoxysilylpropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propyl-trimethoxysilane.

What is the SMILES notation for 3-[4-(3-ethoxypropyl)-2,4,6,8-tetramethyl-6,8-bis(3-trimethoxysilylpropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propyl-trimethoxysilane?

The canonical SMILES for 3-[4-(3-ethoxypropyl)-2,4,6,8-tetramethyl-6,8-bis(3-trimethoxysilylpropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propyl-trimethoxysilane is CCOCCC[Si]1(C)O[Si](C)(CCC[Si](OC)(OC)OC)O[Si](C)(CCC[Si](OC)(OC)OC)O[Si](C)(CCC[Si](OC)(OC)OC)O1.

What is the InChIKey of 3-[4-(3-ethoxypropyl)-2,4,6,8-tetramethyl-6,8-bis(3-trimethoxysilylpropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propyl-trimethoxysilane?

The InChIKey is VGJGBDWKVUGYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H68O14Si7/c1-15-37-20-16-21-42(11)38-43(12,22-17-25-46(28-2,29-3)30-4)40-45(14,24-19-27-48(34-8,35-9)36-10)41-44(13,39-42)23-18-26-47(31-5,32-6)33-7/h15-27H2,1-14H3.

What are the key properties of 3-[4-(3-ethoxypropyl)-2,4,6,8-tetramethyl-6,8-bis(3-trimethoxysilylpropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propyl-trimethoxysilane?

3-[4-(3-ethoxypropyl)-2,4,6,8-tetramethyl-6,8-bis(3-trimethoxysilylpropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propyl-trimethoxysilane has a molecular weight of 813.43 g/mol, XLogP of 5.59, 26 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(3-ethoxypropyl)-2,4,6,8-tetramethyl-6,8-bis(3-trimethoxysilylpropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propyl-trimethoxysilane is sourced from PubChem (CID 123735987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).