[(1S,3E,5R)-3-(benzenesulfinylmethylidene)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane

C26H44O3SSi2 — CID 10743765

About [(1S,3E,5R)-3-(benzenesulfinylmethylidene)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane

[(1S,3E,5R)-3-(benzenesulfinylmethylidene)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane (PubChem CID 10743765) has the molecular formula C26H44O3SSi2 and a molecular weight of 492.87 g/mol. Its IUPAC name is [(1S,3E,5R)-3-(benzenesulfinylmethylidene)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

• Compound Name: [(1S,3E,5R)-3-(benzenesulfinylmethylidene)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane
• PubChem CID: 10743765
• Molecular Formula: C26H44O3SSi2
• Molecular Weight: 492.87 g/mol
• Exact Mass: 492.25
• IUPAC Name: [(1S,3E,5R)-3-(benzenesulfinylmethylidene)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane
• SMILES: C=C1/C(=C/S(=O)c2ccccc2)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C26H44O3SSi2/c1-20-21(19-30(27)23-15-13-12-14-16-23)17-22(28-31(8,9)25(2,3)4)18-24(20)29-32(10,11)26(5,6)7/h12-16,19,22,24H,1,17-18H2,2-11H3/b21-19+/t22-,24+,30?/m1/s1
• InChIKey: JSSDBGYCYTUOOI-UOCMFZMSSA-N
• XLogP: 7.81
• TPSA: 35.53 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	492.87
LogP ≤ 5	7.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(1S,3E,5R)-3-(benzenesulfinylmethylidene)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane?

The IUPAC name of [(1S,3E,5R)-3-(benzenesulfinylmethylidene)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane (CID 10743765) is [(1S,3E,5R)-3-(benzenesulfinylmethylidene)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane.

What is the SMILES notation for [(1S,3E,5R)-3-(benzenesulfinylmethylidene)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane?

The canonical SMILES for [(1S,3E,5R)-3-(benzenesulfinylmethylidene)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane is C=C1/C(=C/S(=O)c2ccccc2)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C.

What is the InChIKey of [(1S,3E,5R)-3-(benzenesulfinylmethylidene)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane?

The InChIKey is JSSDBGYCYTUOOI-UOCMFZMSSA-N. The full InChI is InChI=1S/C26H44O3SSi2/c1-20-21(19-30(27)23-15-13-12-14-16-23)17-22(28-31(8,9)25(2,3)4)18-24(20)29-32(10,11)26(5,6)7/h12-16,19,22,24H,1,17-18H2,2-11H3/b21-19+/t22-,24+,30?/m1/s1.

What are the key properties of [(1S,3E,5R)-3-(benzenesulfinylmethylidene)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane?

[(1S,3E,5R)-3-(benzenesulfinylmethylidene)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane has a molecular weight of 492.87 g/mol, XLogP of 7.81, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [(1S,3E,5R)-3-(benzenesulfinylmethylidene)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 10743765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).