tert-butyl-[(5S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)non-8-enoxy]-diphenylsilane

C33H54O4Si2 — CID 24938591

About tert-butyl-[(5S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)non-8-enoxy]-diphenylsilane

tert-butyl-[(5S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)non-8-enoxy]-diphenylsilane (PubChem CID 24938591) has the molecular formula C33H54O4Si2 and a molecular weight of 570.96 g/mol. Its IUPAC name is tert-butyl-[(5S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)non-8-enoxy]-diphenylsilane.

Molecular Properties

• Compound Name: tert-butyl-[(5S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)non-8-enoxy]-diphenylsilane
• PubChem CID: 24938591
• Molecular Formula: C33H54O4Si2
• Molecular Weight: 570.96 g/mol
• Exact Mass: 570.36
• IUPAC Name: tert-butyl-[(5S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)non-8-enoxy]-diphenylsilane
• SMILES: C=C[C@@H](C[C@H](CCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)OCOC)O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C33H54O4Si2/c1-11-28(37-38(9,10)32(2,3)4)26-29(35-27-34-8)20-18-19-25-36-39(33(5,6)7,30-21-14-12-15-22-30)31-23-16-13-17-24-31/h11-17,21-24,28-29H,1,18-20,25-27H2,2-10H3/t28-,29-/m0/s1
• InChIKey: TYLUIFOEZGERBX-VMPREFPWSA-N
• XLogP: 7.69
• TPSA: 36.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 16
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	570.96
LogP ≤ 5	7.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(5S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)non-8-enoxy]-diphenylsilane?

The IUPAC name of tert-butyl-[(5S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)non-8-enoxy]-diphenylsilane (CID 24938591) is tert-butyl-[(5S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)non-8-enoxy]-diphenylsilane.

What is the SMILES notation for tert-butyl-[(5S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)non-8-enoxy]-diphenylsilane?

The canonical SMILES for tert-butyl-[(5S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)non-8-enoxy]-diphenylsilane is C=C[C@@H](C[C@H](CCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)OCOC)O[Si](C)(C)C(C)(C)C.

What is the InChIKey of tert-butyl-[(5S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)non-8-enoxy]-diphenylsilane?

The InChIKey is TYLUIFOEZGERBX-VMPREFPWSA-N. The full InChI is InChI=1S/C33H54O4Si2/c1-11-28(37-38(9,10)32(2,3)4)26-29(35-27-34-8)20-18-19-25-36-39(33(5,6)7,30-21-14-12-15-22-30)31-23-16-13-17-24-31/h11-17,21-24,28-29H,1,18-20,25-27H2,2-10H3/t28-,29-/m0/s1.

What are the key properties of tert-butyl-[(5S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)non-8-enoxy]-diphenylsilane?

tert-butyl-[(5S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)non-8-enoxy]-diphenylsilane has a molecular weight of 570.96 g/mol, XLogP of 7.69, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[(5S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)non-8-enoxy]-diphenylsilane is sourced from PubChem (CID 24938591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).