tert-butyl-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(1,3-dioxolan-2-yl)butoxy]-diphenylsilane

C40H52O4Si2 — CID 10439261

About tert-butyl-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(1,3-dioxolan-2-yl)butoxy]-diphenylsilane

tert-butyl-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(1,3-dioxolan-2-yl)butoxy]-diphenylsilane (PubChem CID 10439261) has the molecular formula C40H52O4Si2 and a molecular weight of 653.02 g/mol. Its IUPAC name is tert-butyl-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(1,3-dioxolan-2-yl)butoxy]-diphenylsilane.

Molecular Properties

• Compound Name: tert-butyl-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(1,3-dioxolan-2-yl)butoxy]-diphenylsilane
• PubChem CID: 10439261
• Molecular Formula: C40H52O4Si2
• Molecular Weight: 653.02 g/mol
• Exact Mass: 652.34
• IUPAC Name: tert-butyl-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(1,3-dioxolan-2-yl)butoxy]-diphenylsilane
• SMILES: CC(C)(C)[Si](OCC(CCC1OCCO1)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C40H52O4Si2/c1-39(2,3)45(34-19-11-7-12-20-34,35-21-13-8-14-22-35)43-31-33(27-28-38-41-29-30-42-38)32-44-46(40(4,5)6,36-23-15-9-16-24-36)37-25-17-10-18-26-37/h7-26,33,38H,27-32H2,1-6H3
• InChIKey: LCKSVXWLIASNJP-UHFFFAOYSA-N
• XLogP: 6.91
• TPSA: 36.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 13
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	653.02
LogP ≤ 5	6.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(1,3-dioxolan-2-yl)butoxy]-diphenylsilane?

The IUPAC name of tert-butyl-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(1,3-dioxolan-2-yl)butoxy]-diphenylsilane (CID 10439261) is tert-butyl-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(1,3-dioxolan-2-yl)butoxy]-diphenylsilane.

What is the SMILES notation for tert-butyl-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(1,3-dioxolan-2-yl)butoxy]-diphenylsilane?

The canonical SMILES for tert-butyl-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(1,3-dioxolan-2-yl)butoxy]-diphenylsilane is CC(C)(C)[Si](OCC(CCC1OCCO1)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)(c1ccccc1)c1ccccc1.

What is the InChIKey of tert-butyl-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(1,3-dioxolan-2-yl)butoxy]-diphenylsilane?

The InChIKey is LCKSVXWLIASNJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H52O4Si2/c1-39(2,3)45(34-19-11-7-12-20-34,35-21-13-8-14-22-35)43-31-33(27-28-38-41-29-30-42-38)32-44-46(40(4,5)6,36-23-15-9-16-24-36)37-25-17-10-18-26-37/h7-26,33,38H,27-32H2,1-6H3.

What are the key properties of tert-butyl-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(1,3-dioxolan-2-yl)butoxy]-diphenylsilane?

tert-butyl-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(1,3-dioxolan-2-yl)butoxy]-diphenylsilane has a molecular weight of 653.02 g/mol, XLogP of 6.91, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(1,3-dioxolan-2-yl)butoxy]-diphenylsilane is sourced from PubChem (CID 10439261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).