(4R,5S,7S)-5-[tert-butyl(diphenyl)silyl]oxy-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-7-[(Z)-1-trimethylsilylprop-1-enyl]-1,3-dioxepan-2-one

C44H58O5Si3 — CID 11814645

About (4R,5S,7S)-5-[tert-butyl(diphenyl)silyl]oxy-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-7-[(Z)-1-trimethylsilylprop-1-enyl]-1,3-dioxepan-2-one

(4R,5S,7S)-5-[tert-butyl(diphenyl)silyl]oxy-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-7-[(Z)-1-trimethylsilylprop-1-enyl]-1,3-dioxepan-2-one (PubChem CID 11814645) has the molecular formula C44H58O5Si3 and a molecular weight of 751.20 g/mol. Its IUPAC name is (4R,5S,7S)-5-[tert-butyl(diphenyl)silyl]oxy-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-7-[(Z)-1-trimethylsilylprop-1-enyl]-1,3-dioxepan-2-one.

Molecular Properties

• Compound Name: (4R,5S,7S)-5-[tert-butyl(diphenyl)silyl]oxy-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-7-[(Z)-1-trimethylsilylprop-1-enyl]-1,3-dioxepan-2-one
• PubChem CID: 11814645
• Molecular Formula: C44H58O5Si3
• Molecular Weight: 751.20 g/mol
• Exact Mass: 750.36
• IUPAC Name: (4R,5S,7S)-5-[tert-butyl(diphenyl)silyl]oxy-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-7-[(Z)-1-trimethylsilylprop-1-enyl]-1,3-dioxepan-2-one
• SMILES: C/C=C(/[C@@H]1C[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC(=O)O1)[Si](C)(C)C
• InChI: InChI=1S/C44H58O5Si3/c1-11-41(50(8,9)10)39-32-38(49-52(44(5,6)7,36-28-20-14-21-29-36)37-30-22-15-23-31-37)40(48-42(45)47-39)33-46-51(43(2,3)4,34-24-16-12-17-25-34)35-26-18-13-19-27-35/h11-31,38-40H,32-33H2,1-10H3/b41-11-/t38-,39-,40+/m0/s1
• InChIKey: HIVAQTTUWAWNKE-IEFKISEQSA-N
• XLogP: 8.63
• TPSA: 53.99 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	751.20
LogP ≤ 5	8.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4R,5S,7S)-5-[tert-butyl(diphenyl)silyl]oxy-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-7-[(Z)-1-trimethylsilylprop-1-enyl]-1,3-dioxepan-2-one?

The IUPAC name of (4R,5S,7S)-5-[tert-butyl(diphenyl)silyl]oxy-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-7-[(Z)-1-trimethylsilylprop-1-enyl]-1,3-dioxepan-2-one (CID 11814645) is (4R,5S,7S)-5-[tert-butyl(diphenyl)silyl]oxy-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-7-[(Z)-1-trimethylsilylprop-1-enyl]-1,3-dioxepan-2-one.

What is the SMILES notation for (4R,5S,7S)-5-[tert-butyl(diphenyl)silyl]oxy-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-7-[(Z)-1-trimethylsilylprop-1-enyl]-1,3-dioxepan-2-one?

The canonical SMILES for (4R,5S,7S)-5-[tert-butyl(diphenyl)silyl]oxy-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-7-[(Z)-1-trimethylsilylprop-1-enyl]-1,3-dioxepan-2-one is C/C=C(/[C@@H]1C[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC(=O)O1)[Si](C)(C)C.

What is the InChIKey of (4R,5S,7S)-5-[tert-butyl(diphenyl)silyl]oxy-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-7-[(Z)-1-trimethylsilylprop-1-enyl]-1,3-dioxepan-2-one?

The InChIKey is HIVAQTTUWAWNKE-IEFKISEQSA-N. The full InChI is InChI=1S/C44H58O5Si3/c1-11-41(50(8,9)10)39-32-38(49-52(44(5,6)7,36-28-20-14-21-29-36)37-30-22-15-23-31-37)40(48-42(45)47-39)33-46-51(43(2,3)4,34-24-16-12-17-25-34)35-26-18-13-19-27-35/h11-31,38-40H,32-33H2,1-10H3/b41-11-/t38-,39-,40+/m0/s1.

What are the key properties of (4R,5S,7S)-5-[tert-butyl(diphenyl)silyl]oxy-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-7-[(Z)-1-trimethylsilylprop-1-enyl]-1,3-dioxepan-2-one?

(4R,5S,7S)-5-[tert-butyl(diphenyl)silyl]oxy-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-7-[(Z)-1-trimethylsilylprop-1-enyl]-1,3-dioxepan-2-one has a molecular weight of 751.20 g/mol, XLogP of 8.63, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (4R,5S,7S)-5-[tert-butyl(diphenyl)silyl]oxy-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-7-[(Z)-1-trimethylsilylprop-1-enyl]-1,3-dioxepan-2-one is sourced from PubChem (CID 11814645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).