tert-butyl-[[(2S,7R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,7-dihydrooxepin-2-yl]methoxy]-dimethylsilane

C20H40O3Si2 — CID 11058108

About tert-butyl-[[(2S,7R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,7-dihydrooxepin-2-yl]methoxy]-dimethylsilane

tert-butyl-[[(2S,7R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,7-dihydrooxepin-2-yl]methoxy]-dimethylsilane (PubChem CID 11058108) has the molecular formula C20H40O3Si2 and a molecular weight of 384.71 g/mol. Its IUPAC name is tert-butyl-[[(2S,7R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,7-dihydrooxepin-2-yl]methoxy]-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[[(2S,7R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,7-dihydrooxepin-2-yl]methoxy]-dimethylsilane
• PubChem CID: 11058108
• Molecular Formula: C20H40O3Si2
• Molecular Weight: 384.71 g/mol
• Exact Mass: 384.25
• IUPAC Name: tert-butyl-[[(2S,7R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,7-dihydrooxepin-2-yl]methoxy]-dimethylsilane
• SMILES: CC(C)(C)[Si](C)(C)OC[C@H]1C=CC=C[C@@H](CO[Si](C)(C)C(C)(C)C)O1
• InChI: InChI=1S/C20H40O3Si2/c1-19(2,3)24(7,8)21-15-17-13-11-12-14-18(23-17)16-22-25(9,10)20(4,5)6/h11-14,17-18H,15-16H2,1-10H3/t17-,18+
• InChIKey: VSZXGPPKMBQERU-HDICACEKSA-N
• XLogP: 5.91
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	384.71
LogP ≤ 5	5.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(2S,7R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,7-dihydrooxepin-2-yl]methoxy]-dimethylsilane?

The IUPAC name of tert-butyl-[[(2S,7R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,7-dihydrooxepin-2-yl]methoxy]-dimethylsilane (CID 11058108) is tert-butyl-[[(2S,7R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,7-dihydrooxepin-2-yl]methoxy]-dimethylsilane.

What is the SMILES notation for tert-butyl-[[(2S,7R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,7-dihydrooxepin-2-yl]methoxy]-dimethylsilane?

The canonical SMILES for tert-butyl-[[(2S,7R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,7-dihydrooxepin-2-yl]methoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OC[C@H]1C=CC=C[C@@H](CO[Si](C)(C)C(C)(C)C)O1.

What is the InChIKey of tert-butyl-[[(2S,7R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,7-dihydrooxepin-2-yl]methoxy]-dimethylsilane?

The InChIKey is VSZXGPPKMBQERU-HDICACEKSA-N. The full InChI is InChI=1S/C20H40O3Si2/c1-19(2,3)24(7,8)21-15-17-13-11-12-14-18(23-17)16-22-25(9,10)20(4,5)6/h11-14,17-18H,15-16H2,1-10H3/t17-,18+.

What are the key properties of tert-butyl-[[(2S,7R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,7-dihydrooxepin-2-yl]methoxy]-dimethylsilane?

tert-butyl-[[(2S,7R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,7-dihydrooxepin-2-yl]methoxy]-dimethylsilane has a molecular weight of 384.71 g/mol, XLogP of 5.91, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[[(2S,7R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,7-dihydrooxepin-2-yl]methoxy]-dimethylsilane is sourced from PubChem (CID 11058108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).