tert-butyl-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-5-(oxan-2-yloxy)cyclohexyl]oxy-dimethylsilane

C24H48O4Si2 — CID 69007410

About tert-butyl-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-5-(oxan-2-yloxy)cyclohexyl]oxy-dimethylsilane

tert-butyl-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-5-(oxan-2-yloxy)cyclohexyl]oxy-dimethylsilane (PubChem CID 69007410) has the molecular formula C24H48O4Si2 and a molecular weight of 456.82 g/mol. Its IUPAC name is tert-butyl-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-5-(oxan-2-yloxy)cyclohexyl]oxy-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-5-(oxan-2-yloxy)cyclohexyl]oxy-dimethylsilane
• PubChem CID: 69007410
• Molecular Formula: C24H48O4Si2
• Molecular Weight: 456.82 g/mol
• Exact Mass: 456.31
• IUPAC Name: tert-butyl-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-5-(oxan-2-yloxy)cyclohexyl]oxy-dimethylsilane
• SMILES: C=C1C(OC2CCCCO2)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/C24H48O4Si2/c1-18-20(26-22-14-12-13-15-25-22)16-19(27-29(8,9)23(2,3)4)17-21(18)28-30(10,11)24(5,6)7/h19-22H,1,12-17H2,2-11H3/t19-,20?,21-,22?/m1/s1
• InChIKey: QOALUQQEWGWHFA-BJTVZRGDSA-N
• XLogP: 7.03
• TPSA: 36.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	456.82
LogP ≤ 5	7.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-5-(oxan-2-yloxy)cyclohexyl]oxy-dimethylsilane?

The IUPAC name of tert-butyl-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-5-(oxan-2-yloxy)cyclohexyl]oxy-dimethylsilane (CID 69007410) is tert-butyl-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-5-(oxan-2-yloxy)cyclohexyl]oxy-dimethylsilane.

What is the SMILES notation for tert-butyl-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-5-(oxan-2-yloxy)cyclohexyl]oxy-dimethylsilane?

The canonical SMILES for tert-butyl-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-5-(oxan-2-yloxy)cyclohexyl]oxy-dimethylsilane is C=C1C(OC2CCCCO2)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 tert-butyl-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-5-(oxan-2-yloxy)cyclohexyl]oxy-dimethylsilane?

The InChIKey is QOALUQQEWGWHFA-BJTVZRGDSA-N. The full InChI is InChI=1S/C24H48O4Si2/c1-18-20(26-22-14-12-13-15-25-22)16-19(27-29(8,9)23(2,3)4)17-21(18)28-30(10,11)24(5,6)7/h19-22H,1,12-17H2,2-11H3/t19-,20?,21-,22?/m1/s1.

What are the key properties of tert-butyl-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-5-(oxan-2-yloxy)cyclohexyl]oxy-dimethylsilane?

tert-butyl-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-5-(oxan-2-yloxy)cyclohexyl]oxy-dimethylsilane has a molecular weight of 456.82 g/mol, XLogP of 7.03, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-5-(oxan-2-yloxy)cyclohexyl]oxy-dimethylsilane is sourced from PubChem (CID 69007410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).