tert-butyl-[(5Z)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-5-[2-(oxan-2-yloxy)ethylidene]cyclohexyl]oxy-diphenylsilane

C36H54O4Si2 — CID 139619868

About tert-butyl-[(5Z)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-5-[2-(oxan-2-yloxy)ethylidene]cyclohexyl]oxy-diphenylsilane

tert-butyl-[(5Z)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-5-[2-(oxan-2-yloxy)ethylidene]cyclohexyl]oxy-diphenylsilane (PubChem CID 139619868) has the molecular formula C36H54O4Si2 and a molecular weight of 607.00 g/mol. Its IUPAC name is tert-butyl-[(5Z)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-5-[2-(oxan-2-yloxy)ethylidene]cyclohexyl]oxy-diphenylsilane.

Molecular Properties

• Compound Name: tert-butyl-[(5Z)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-5-[2-(oxan-2-yloxy)ethylidene]cyclohexyl]oxy-diphenylsilane
• PubChem CID: 139619868
• Molecular Formula: C36H54O4Si2
• Molecular Weight: 607.00 g/mol
• Exact Mass: 606.36
• IUPAC Name: tert-butyl-[(5Z)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-5-[2-(oxan-2-yloxy)ethylidene]cyclohexyl]oxy-diphenylsilane
• SMILES: C=C1/C(=C\COC2CCCCO2)CC(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C36H54O4Si2/c1-28-29(23-25-38-34-22-16-17-24-37-34)26-30(27-33(28)40-41(8,9)35(2,3)4)39-42(36(5,6)7,31-18-12-10-13-19-31)32-20-14-11-15-21-32/h10-15,18-21,23,30,33-34H,1,16-17,22,24-27H2,2-9H3/b29-23-
• InChIKey: OVQYPUOWKMUTKT-FAJYDZGRSA-N
• XLogP: 8.14
• TPSA: 36.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	607.00
LogP ≤ 5	8.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(5Z)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-5-[2-(oxan-2-yloxy)ethylidene]cyclohexyl]oxy-diphenylsilane?

The IUPAC name of tert-butyl-[(5Z)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-5-[2-(oxan-2-yloxy)ethylidene]cyclohexyl]oxy-diphenylsilane (CID 139619868) is tert-butyl-[(5Z)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-5-[2-(oxan-2-yloxy)ethylidene]cyclohexyl]oxy-diphenylsilane.

What is the SMILES notation for tert-butyl-[(5Z)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-5-[2-(oxan-2-yloxy)ethylidene]cyclohexyl]oxy-diphenylsilane?

The canonical SMILES for tert-butyl-[(5Z)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-5-[2-(oxan-2-yloxy)ethylidene]cyclohexyl]oxy-diphenylsilane is C=C1/C(=C\COC2CCCCO2)CC(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1O[Si](C)(C)C(C)(C)C.

What is the InChIKey of tert-butyl-[(5Z)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-5-[2-(oxan-2-yloxy)ethylidene]cyclohexyl]oxy-diphenylsilane?

The InChIKey is OVQYPUOWKMUTKT-FAJYDZGRSA-N. The full InChI is InChI=1S/C36H54O4Si2/c1-28-29(23-25-38-34-22-16-17-24-37-34)26-30(27-33(28)40-41(8,9)35(2,3)4)39-42(36(5,6)7,31-18-12-10-13-19-31)32-20-14-11-15-21-32/h10-15,18-21,23,30,33-34H,1,16-17,22,24-27H2,2-9H3/b29-23-.

What are the key properties of tert-butyl-[(5Z)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-5-[2-(oxan-2-yloxy)ethylidene]cyclohexyl]oxy-diphenylsilane?

tert-butyl-[(5Z)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-5-[2-(oxan-2-yloxy)ethylidene]cyclohexyl]oxy-diphenylsilane has a molecular weight of 607.00 g/mol, XLogP of 8.14, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[(5Z)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-5-[2-(oxan-2-yloxy)ethylidene]cyclohexyl]oxy-diphenylsilane is sourced from PubChem (CID 139619868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).