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

C26H50O4Si2 — CID 139619863

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

tert-butyl-[(3Z)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylidene-3-[2-(oxan-2-yloxy)ethylidene]cyclohexyl]oxy-dimethylsilane (PubChem CID 139619863) has the molecular formula C26H50O4Si2 and a molecular weight of 482.85 g/mol. Its IUPAC name is tert-butyl-[(3Z)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylidene-3-[2-(oxan-2-yloxy)ethylidene]cyclohexyl]oxy-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[(3Z)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylidene-3-[2-(oxan-2-yloxy)ethylidene]cyclohexyl]oxy-dimethylsilane
• PubChem CID: 139619863
• Molecular Formula: C26H50O4Si2
• Molecular Weight: 482.85 g/mol
• Exact Mass: 482.32
• IUPAC Name: tert-butyl-[(3Z)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylidene-3-[2-(oxan-2-yloxy)ethylidene]cyclohexyl]oxy-dimethylsilane
• SMILES: C=C1/C(=C\COC2CCCCO2)CC(O[Si](C)(C)C(C)(C)C)CC1O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C26H50O4Si2/c1-20-21(15-17-28-24-14-12-13-16-27-24)18-22(29-31(8,9)25(2,3)4)19-23(20)30-32(10,11)26(5,6)7/h15,22-24H,1,12-14,16-19H2,2-11H3/b21-15-
• InChIKey: YHGQWGXYKJSUCJ-QNGOZBTKSA-N
• XLogP: 7.59
• TPSA: 36.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	482.85
LogP ≤ 5	7.59
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-[(3Z)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylidene-3-[2-(oxan-2-yloxy)ethylidene]cyclohexyl]oxy-dimethylsilane?

The IUPAC name of tert-butyl-[(3Z)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylidene-3-[2-(oxan-2-yloxy)ethylidene]cyclohexyl]oxy-dimethylsilane (CID 139619863) is tert-butyl-[(3Z)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylidene-3-[2-(oxan-2-yloxy)ethylidene]cyclohexyl]oxy-dimethylsilane.

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

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

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

The InChIKey is YHGQWGXYKJSUCJ-QNGOZBTKSA-N. The full InChI is InChI=1S/C26H50O4Si2/c1-20-21(15-17-28-24-14-12-13-16-27-24)18-22(29-31(8,9)25(2,3)4)19-23(20)30-32(10,11)26(5,6)7/h15,22-24H,1,12-14,16-19H2,2-11H3/b21-15-.

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

tert-butyl-[(3Z)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylidene-3-[2-(oxan-2-yloxy)ethylidene]cyclohexyl]oxy-dimethylsilane has a molecular weight of 482.85 g/mol, XLogP of 7.59, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[(3Z)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylidene-3-[2-(oxan-2-yloxy)ethylidene]cyclohexyl]oxy-dimethylsilane is sourced from PubChem (CID 139619863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).