tert-butyl-[[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-2,3-dihydrooxepin-7-yl]methoxy]-dimethylsilane

C20H40O3Si2 — CID 58940291

About tert-butyl-[[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-2,3-dihydrooxepin-7-yl]methoxy]-dimethylsilane

tert-butyl-[[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-2,3-dihydrooxepin-7-yl]methoxy]-dimethylsilane (PubChem CID 58940291) has the molecular formula C20H40O3Si2 and a molecular weight of 384.71 g/mol. Its IUPAC name is tert-butyl-[[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-2,3-dihydrooxepin-7-yl]methoxy]-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-2,3-dihydrooxepin-7-yl]methoxy]-dimethylsilane
• PubChem CID: 58940291
• Molecular Formula: C20H40O3Si2
• Molecular Weight: 384.71 g/mol
• Exact Mass: 384.25
• IUPAC Name: tert-butyl-[[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-2,3-dihydrooxepin-7-yl]methoxy]-dimethylsilane
• SMILES: C[C@@H]1OC(CO[Si](C)(C)C(C)(C)C)=CC=C[C@@H]1O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C20H40O3Si2/c1-16-18(23-25(10,11)20(5,6)7)14-12-13-17(22-16)15-21-24(8,9)19(2,3)4/h12-14,16,18H,15H2,1-11H3/t16-,18-/m0/s1
• InChIKey: WIXQNEIVISZETI-WMZOPIPTSA-N
• XLogP: 6.26
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	384.71
LogP ≤ 5	6.26
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,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-2,3-dihydrooxepin-7-yl]methoxy]-dimethylsilane?

The IUPAC name of tert-butyl-[[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-2,3-dihydrooxepin-7-yl]methoxy]-dimethylsilane (CID 58940291) is tert-butyl-[[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-2,3-dihydrooxepin-7-yl]methoxy]-dimethylsilane.

What is the SMILES notation for tert-butyl-[[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-2,3-dihydrooxepin-7-yl]methoxy]-dimethylsilane?

The canonical SMILES for tert-butyl-[[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-2,3-dihydrooxepin-7-yl]methoxy]-dimethylsilane is C[C@@H]1OC(CO[Si](C)(C)C(C)(C)C)=CC=C[C@@H]1O[Si](C)(C)C(C)(C)C.

What is the InChIKey of tert-butyl-[[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-2,3-dihydrooxepin-7-yl]methoxy]-dimethylsilane?

The InChIKey is WIXQNEIVISZETI-WMZOPIPTSA-N. The full InChI is InChI=1S/C20H40O3Si2/c1-16-18(23-25(10,11)20(5,6)7)14-12-13-17(22-16)15-21-24(8,9)19(2,3)4/h12-14,16,18H,15H2,1-11H3/t16-,18-/m0/s1.

What are the key properties of tert-butyl-[[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-2,3-dihydrooxepin-7-yl]methoxy]-dimethylsilane?

tert-butyl-[[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-2,3-dihydrooxepin-7-yl]methoxy]-dimethylsilane has a molecular weight of 384.71 g/mol, XLogP of 6.26, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-2,3-dihydrooxepin-7-yl]methoxy]-dimethylsilane is sourced from PubChem (CID 58940291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).