[(1R,2R,3S,4R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-7-oxabicyclo[2.2.1]hept-5-en-2-yl]oxy-tert-butyl-dimethylsilane

C24H50O4Si3 — CID 14483578

About [(1R,2R,3S,4R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-7-oxabicyclo[2.2.1]hept-5-en-2-yl]oxy-tert-butyl-dimethylsilane

[(1R,2R,3S,4R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-7-oxabicyclo[2.2.1]hept-5-en-2-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 14483578) has the molecular formula C24H50O4Si3 and a molecular weight of 486.92 g/mol. Its IUPAC name is [(1R,2R,3S,4R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-7-oxabicyclo[2.2.1]hept-5-en-2-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

• Compound Name: [(1R,2R,3S,4R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-7-oxabicyclo[2.2.1]hept-5-en-2-yl]oxy-tert-butyl-dimethylsilane
• PubChem CID: 14483578
• Molecular Formula: C24H50O4Si3
• Molecular Weight: 486.92 g/mol
• Exact Mass: 486.30
• IUPAC Name: [(1R,2R,3S,4R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-7-oxabicyclo[2.2.1]hept-5-en-2-yl]oxy-tert-butyl-dimethylsilane
• SMILES: CC(C)(C)[Si](C)(C)OC1=C[C@H]2O[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C24H50O4Si3/c1-22(2,3)29(10,11)26-18-16-17-20(27-30(12,13)23(4,5)6)21(19(18)25-17)28-31(14,15)24(7,8)9/h16-17,19-21H,1-15H3/t17-,19+,20-,21+/m1/s1
• InChIKey: UHYUVXXIWJBARX-PMXSJFBMSA-N
• XLogP: 7.45
• TPSA: 36.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	486.92
LogP ≤ 5	7.45
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 [(1R,2R,3S,4R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-7-oxabicyclo[2.2.1]hept-5-en-2-yl]oxy-tert-butyl-dimethylsilane?

The IUPAC name of [(1R,2R,3S,4R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-7-oxabicyclo[2.2.1]hept-5-en-2-yl]oxy-tert-butyl-dimethylsilane (CID 14483578) is [(1R,2R,3S,4R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-7-oxabicyclo[2.2.1]hept-5-en-2-yl]oxy-tert-butyl-dimethylsilane.

What is the SMILES notation for [(1R,2R,3S,4R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-7-oxabicyclo[2.2.1]hept-5-en-2-yl]oxy-tert-butyl-dimethylsilane?

The canonical SMILES for [(1R,2R,3S,4R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-7-oxabicyclo[2.2.1]hept-5-en-2-yl]oxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OC1=C[C@H]2O[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O[Si](C)(C)C(C)(C)C.

What is the InChIKey of [(1R,2R,3S,4R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-7-oxabicyclo[2.2.1]hept-5-en-2-yl]oxy-tert-butyl-dimethylsilane?

The InChIKey is UHYUVXXIWJBARX-PMXSJFBMSA-N. The full InChI is InChI=1S/C24H50O4Si3/c1-22(2,3)29(10,11)26-18-16-17-20(27-30(12,13)23(4,5)6)21(19(18)25-17)28-31(14,15)24(7,8)9/h16-17,19-21H,1-15H3/t17-,19+,20-,21+/m1/s1.

What are the key properties of [(1R,2R,3S,4R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-7-oxabicyclo[2.2.1]hept-5-en-2-yl]oxy-tert-butyl-dimethylsilane?

[(1R,2R,3S,4R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-7-oxabicyclo[2.2.1]hept-5-en-2-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 486.92 g/mol, XLogP of 7.45, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [(1R,2R,3S,4R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-7-oxabicyclo[2.2.1]hept-5-en-2-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 14483578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).