tert-butyl-[(3S)-1-[tert-butyl(dimethyl)silyl]oxyhept-5-en-3-yl]oxy-diphenylsilane

C29H46O2Si2 — CID 91526312

About tert-butyl-[(3S)-1-[tert-butyl(dimethyl)silyl]oxyhept-5-en-3-yl]oxy-diphenylsilane

tert-butyl-[(3S)-1-[tert-butyl(dimethyl)silyl]oxyhept-5-en-3-yl]oxy-diphenylsilane (PubChem CID 91526312) has the molecular formula C29H46O2Si2 and a molecular weight of 482.86 g/mol. Its IUPAC name is tert-butyl-[(3S)-1-[tert-butyl(dimethyl)silyl]oxyhept-5-en-3-yl]oxy-diphenylsilane.

Molecular Properties

• Compound Name: tert-butyl-[(3S)-1-[tert-butyl(dimethyl)silyl]oxyhept-5-en-3-yl]oxy-diphenylsilane
• PubChem CID: 91526312
• Molecular Formula: C29H46O2Si2
• Molecular Weight: 482.86 g/mol
• Exact Mass: 482.30
• IUPAC Name: tert-butyl-[(3S)-1-[tert-butyl(dimethyl)silyl]oxyhept-5-en-3-yl]oxy-diphenylsilane
• SMILES: CC=CC[C@@H](CCO[Si](C)(C)C(C)(C)C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
• InChI: InChI=1S/C29H46O2Si2/c1-10-11-18-25(23-24-30-32(8,9)28(2,3)4)31-33(29(5,6)7,26-19-14-12-15-20-26)27-21-16-13-17-22-27/h10-17,19-22,25H,18,23-24H2,1-9H3/t25-/m0/s1
• InChIKey: OYVWEYBIFOUNJO-VWLOTQADSA-N
• XLogP: 7.31
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	482.86
LogP ≤ 5	7.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(3S)-1-[tert-butyl(dimethyl)silyl]oxyhept-5-en-3-yl]oxy-diphenylsilane?

The IUPAC name of tert-butyl-[(3S)-1-[tert-butyl(dimethyl)silyl]oxyhept-5-en-3-yl]oxy-diphenylsilane (CID 91526312) is tert-butyl-[(3S)-1-[tert-butyl(dimethyl)silyl]oxyhept-5-en-3-yl]oxy-diphenylsilane.

What is the SMILES notation for tert-butyl-[(3S)-1-[tert-butyl(dimethyl)silyl]oxyhept-5-en-3-yl]oxy-diphenylsilane?

The canonical SMILES for tert-butyl-[(3S)-1-[tert-butyl(dimethyl)silyl]oxyhept-5-en-3-yl]oxy-diphenylsilane is CC=CC[C@@H](CCO[Si](C)(C)C(C)(C)C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.

What is the InChIKey of tert-butyl-[(3S)-1-[tert-butyl(dimethyl)silyl]oxyhept-5-en-3-yl]oxy-diphenylsilane?

The InChIKey is OYVWEYBIFOUNJO-VWLOTQADSA-N. The full InChI is InChI=1S/C29H46O2Si2/c1-10-11-18-25(23-24-30-32(8,9)28(2,3)4)31-33(29(5,6)7,26-19-14-12-15-20-26)27-21-16-13-17-22-27/h10-17,19-22,25H,18,23-24H2,1-9H3/t25-/m0/s1.

What are the key properties of tert-butyl-[(3S)-1-[tert-butyl(dimethyl)silyl]oxyhept-5-en-3-yl]oxy-diphenylsilane?

tert-butyl-[(3S)-1-[tert-butyl(dimethyl)silyl]oxyhept-5-en-3-yl]oxy-diphenylsilane has a molecular weight of 482.86 g/mol, XLogP of 7.31, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[(3S)-1-[tert-butyl(dimethyl)silyl]oxyhept-5-en-3-yl]oxy-diphenylsilane is sourced from PubChem (CID 91526312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).