[formyl-methyl-[1-[2,4,6,8-tetramethyl-6-(3-trimethoxysilylpropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propyl]silyl]formaldehyde

C16H40O9Si6 — CID 58720482

About [formyl-methyl-[1-[2,4,6,8-tetramethyl-6-(3-trimethoxysilylpropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propyl]silyl]formaldehyde

[formyl-methyl-[1-[2,4,6,8-tetramethyl-6-(3-trimethoxysilylpropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propyl]silyl]formaldehyde (PubChem CID 58720482) has the molecular formula C16H40O9Si6 and a molecular weight of 545.00 g/mol. Its IUPAC name is [formyl-methyl-[1-[2,4,6,8-tetramethyl-6-(3-trimethoxysilylpropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propyl]silyl]formaldehyde.

Molecular Properties

• Compound Name: [formyl-methyl-[1-[2,4,6,8-tetramethyl-6-(3-trimethoxysilylpropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propyl]silyl]formaldehyde
• PubChem CID: 58720482
• Molecular Formula: C16H40O9Si6
• Molecular Weight: 545.00 g/mol
• Exact Mass: 544.13
• IUPAC Name: [formyl-methyl-[1-[2,4,6,8-tetramethyl-6-(3-trimethoxysilylpropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propyl]silyl]formaldehyde
• SMILES: CCC([Si](C)(C=O)C=O)[Si]1(C)O[SiH](C)O[Si](C)(CCC[Si](OC)(OC)OC)O[SiH](C)O1
• InChI: InChI=1S/C16H40O9Si6/c1-10-16(28(7,14-17)15-18)30(9)24-26(5)22-29(8,23-27(6)25-30)12-11-13-31(19-2,20-3)21-4/h14-16,26-27H,10-13H2,1-9H3
• InChIKey: JGLGYSVCIVLASS-UHFFFAOYSA-N
• XLogP: 2.12
• TPSA: 98.75 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	545.00
LogP ≤ 5	2.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [formyl-methyl-[1-[2,4,6,8-tetramethyl-6-(3-trimethoxysilylpropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propyl]silyl]formaldehyde?

The IUPAC name of [formyl-methyl-[1-[2,4,6,8-tetramethyl-6-(3-trimethoxysilylpropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propyl]silyl]formaldehyde (CID 58720482) is [formyl-methyl-[1-[2,4,6,8-tetramethyl-6-(3-trimethoxysilylpropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propyl]silyl]formaldehyde.

What is the SMILES notation for [formyl-methyl-[1-[2,4,6,8-tetramethyl-6-(3-trimethoxysilylpropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propyl]silyl]formaldehyde?

The canonical SMILES for [formyl-methyl-[1-[2,4,6,8-tetramethyl-6-(3-trimethoxysilylpropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propyl]silyl]formaldehyde is CCC([Si](C)(C=O)C=O)[Si]1(C)O[SiH](C)O[Si](C)(CCC[Si](OC)(OC)OC)O[SiH](C)O1.

What is the InChIKey of [formyl-methyl-[1-[2,4,6,8-tetramethyl-6-(3-trimethoxysilylpropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propyl]silyl]formaldehyde?

The InChIKey is JGLGYSVCIVLASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H40O9Si6/c1-10-16(28(7,14-17)15-18)30(9)24-26(5)22-29(8,23-27(6)25-30)12-11-13-31(19-2,20-3)21-4/h14-16,26-27H,10-13H2,1-9H3.

What are the key properties of [formyl-methyl-[1-[2,4,6,8-tetramethyl-6-(3-trimethoxysilylpropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propyl]silyl]formaldehyde?

[formyl-methyl-[1-[2,4,6,8-tetramethyl-6-(3-trimethoxysilylpropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propyl]silyl]formaldehyde has a molecular weight of 545.00 g/mol, XLogP of 2.12, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [formyl-methyl-[1-[2,4,6,8-tetramethyl-6-(3-trimethoxysilylpropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propyl]silyl]formaldehyde is sourced from PubChem (CID 58720482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).