[6-[dimethoxy(phenyl)silyl]-4-[2-[dimethoxy(phenyl)silyl]propyl]heptan-2-yl]-dimethoxy-phenylsilane

C34H52O6Si3 — CID 69434547

About [6-[dimethoxy(phenyl)silyl]-4-[2-[dimethoxy(phenyl)silyl]propyl]heptan-2-yl]-dimethoxy-phenylsilane

[6-[dimethoxy(phenyl)silyl]-4-[2-[dimethoxy(phenyl)silyl]propyl]heptan-2-yl]-dimethoxy-phenylsilane (PubChem CID 69434547) has the molecular formula C34H52O6Si3 and a molecular weight of 641.04 g/mol. Its IUPAC name is [6-[dimethoxy(phenyl)silyl]-4-[2-[dimethoxy(phenyl)silyl]propyl]heptan-2-yl]-dimethoxy-phenylsilane.

Molecular Properties

• Compound Name: [6-[dimethoxy(phenyl)silyl]-4-[2-[dimethoxy(phenyl)silyl]propyl]heptan-2-yl]-dimethoxy-phenylsilane
• PubChem CID: 69434547
• Molecular Formula: C34H52O6Si3
• Molecular Weight: 641.04 g/mol
• Exact Mass: 640.31
• IUPAC Name: [6-[dimethoxy(phenyl)silyl]-4-[2-[dimethoxy(phenyl)silyl]propyl]heptan-2-yl]-dimethoxy-phenylsilane
• SMILES: CO[Si](OC)(c1ccccc1)C(C)CC(CC(C)[Si](OC)(OC)c1ccccc1)CC(C)[Si](OC)(OC)c1ccccc1
• InChI: InChI=1S/C34H52O6Si3/c1-28(41(35-4,36-5)32-19-13-10-14-20-32)25-31(26-29(2)42(37-6,38-7)33-21-15-11-16-22-33)27-30(3)43(39-8,40-9)34-23-17-12-18-24-34/h10-24,28-31H,25-27H2,1-9H3
• InChIKey: SPLANJSLSSRKHZ-UHFFFAOYSA-N
• XLogP: 5.87
• TPSA: 55.38 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 18
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	641.04
LogP ≤ 5	5.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [6-[dimethoxy(phenyl)silyl]-4-[2-[dimethoxy(phenyl)silyl]propyl]heptan-2-yl]-dimethoxy-phenylsilane?

The IUPAC name of [6-[dimethoxy(phenyl)silyl]-4-[2-[dimethoxy(phenyl)silyl]propyl]heptan-2-yl]-dimethoxy-phenylsilane (CID 69434547) is [6-[dimethoxy(phenyl)silyl]-4-[2-[dimethoxy(phenyl)silyl]propyl]heptan-2-yl]-dimethoxy-phenylsilane.

What is the SMILES notation for [6-[dimethoxy(phenyl)silyl]-4-[2-[dimethoxy(phenyl)silyl]propyl]heptan-2-yl]-dimethoxy-phenylsilane?

The canonical SMILES for [6-[dimethoxy(phenyl)silyl]-4-[2-[dimethoxy(phenyl)silyl]propyl]heptan-2-yl]-dimethoxy-phenylsilane is CO[Si](OC)(c1ccccc1)C(C)CC(CC(C)[Si](OC)(OC)c1ccccc1)CC(C)[Si](OC)(OC)c1ccccc1.

What is the InChIKey of [6-[dimethoxy(phenyl)silyl]-4-[2-[dimethoxy(phenyl)silyl]propyl]heptan-2-yl]-dimethoxy-phenylsilane?

The InChIKey is SPLANJSLSSRKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H52O6Si3/c1-28(41(35-4,36-5)32-19-13-10-14-20-32)25-31(26-29(2)42(37-6,38-7)33-21-15-11-16-22-33)27-30(3)43(39-8,40-9)34-23-17-12-18-24-34/h10-24,28-31H,25-27H2,1-9H3.

What are the key properties of [6-[dimethoxy(phenyl)silyl]-4-[2-[dimethoxy(phenyl)silyl]propyl]heptan-2-yl]-dimethoxy-phenylsilane?

[6-[dimethoxy(phenyl)silyl]-4-[2-[dimethoxy(phenyl)silyl]propyl]heptan-2-yl]-dimethoxy-phenylsilane has a molecular weight of 641.04 g/mol, XLogP of 5.87, 18 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [6-[dimethoxy(phenyl)silyl]-4-[2-[dimethoxy(phenyl)silyl]propyl]heptan-2-yl]-dimethoxy-phenylsilane is sourced from PubChem (CID 69434547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).