tert-butyl-[(4S,7R,8R)-7-[tert-butyl(dimethyl)silyl]oxy-8-[(4-methoxyphenyl)methoxy]dodec-1-en-4-yl]oxy-dimethylsilane

C32H60O4Si2 — CID 11505055

About tert-butyl-[(4S,7R,8R)-7-[tert-butyl(dimethyl)silyl]oxy-8-[(4-methoxyphenyl)methoxy]dodec-1-en-4-yl]oxy-dimethylsilane

tert-butyl-[(4S,7R,8R)-7-[tert-butyl(dimethyl)silyl]oxy-8-[(4-methoxyphenyl)methoxy]dodec-1-en-4-yl]oxy-dimethylsilane (PubChem CID 11505055) has the molecular formula C32H60O4Si2 and a molecular weight of 565.00 g/mol. Its IUPAC name is tert-butyl-[(4S,7R,8R)-7-[tert-butyl(dimethyl)silyl]oxy-8-[(4-methoxyphenyl)methoxy]dodec-1-en-4-yl]oxy-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[(4S,7R,8R)-7-[tert-butyl(dimethyl)silyl]oxy-8-[(4-methoxyphenyl)methoxy]dodec-1-en-4-yl]oxy-dimethylsilane
• PubChem CID: 11505055
• Molecular Formula: C32H60O4Si2
• Molecular Weight: 565.00 g/mol
• Exact Mass: 564.40
• IUPAC Name: tert-butyl-[(4S,7R,8R)-7-[tert-butyl(dimethyl)silyl]oxy-8-[(4-methoxyphenyl)methoxy]dodec-1-en-4-yl]oxy-dimethylsilane
• SMILES: C=CC[C@H](CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](CCCC)OCc1ccc(OC)cc1)O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C32H60O4Si2/c1-14-16-18-29(34-25-26-19-21-27(33-9)22-20-26)30(36-38(12,13)32(6,7)8)24-23-28(17-15-2)35-37(10,11)31(3,4)5/h15,19-22,28-30H,2,14,16-18,23-25H2,1,3-13H3/t28-,29-,30-/m1/s1
• InChIKey: FJMYJHGXHSWWIU-IDZRBWSNSA-N
• XLogP: 9.91
• TPSA: 36.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 17
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	565.00
LogP ≤ 5	9.91
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-[(4S,7R,8R)-7-[tert-butyl(dimethyl)silyl]oxy-8-[(4-methoxyphenyl)methoxy]dodec-1-en-4-yl]oxy-dimethylsilane?

The IUPAC name of tert-butyl-[(4S,7R,8R)-7-[tert-butyl(dimethyl)silyl]oxy-8-[(4-methoxyphenyl)methoxy]dodec-1-en-4-yl]oxy-dimethylsilane (CID 11505055) is tert-butyl-[(4S,7R,8R)-7-[tert-butyl(dimethyl)silyl]oxy-8-[(4-methoxyphenyl)methoxy]dodec-1-en-4-yl]oxy-dimethylsilane.

What is the SMILES notation for tert-butyl-[(4S,7R,8R)-7-[tert-butyl(dimethyl)silyl]oxy-8-[(4-methoxyphenyl)methoxy]dodec-1-en-4-yl]oxy-dimethylsilane?

The canonical SMILES for tert-butyl-[(4S,7R,8R)-7-[tert-butyl(dimethyl)silyl]oxy-8-[(4-methoxyphenyl)methoxy]dodec-1-en-4-yl]oxy-dimethylsilane is C=CC[C@H](CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](CCCC)OCc1ccc(OC)cc1)O[Si](C)(C)C(C)(C)C.

What is the InChIKey of tert-butyl-[(4S,7R,8R)-7-[tert-butyl(dimethyl)silyl]oxy-8-[(4-methoxyphenyl)methoxy]dodec-1-en-4-yl]oxy-dimethylsilane?

The InChIKey is FJMYJHGXHSWWIU-IDZRBWSNSA-N. The full InChI is InChI=1S/C32H60O4Si2/c1-14-16-18-29(34-25-26-19-21-27(33-9)22-20-26)30(36-38(12,13)32(6,7)8)24-23-28(17-15-2)35-37(10,11)31(3,4)5/h15,19-22,28-30H,2,14,16-18,23-25H2,1,3-13H3/t28-,29-,30-/m1/s1.

What are the key properties of tert-butyl-[(4S,7R,8R)-7-[tert-butyl(dimethyl)silyl]oxy-8-[(4-methoxyphenyl)methoxy]dodec-1-en-4-yl]oxy-dimethylsilane?

tert-butyl-[(4S,7R,8R)-7-[tert-butyl(dimethyl)silyl]oxy-8-[(4-methoxyphenyl)methoxy]dodec-1-en-4-yl]oxy-dimethylsilane has a molecular weight of 565.00 g/mol, XLogP of 9.91, 17 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[(4S,7R,8R)-7-[tert-butyl(dimethyl)silyl]oxy-8-[(4-methoxyphenyl)methoxy]dodec-1-en-4-yl]oxy-dimethylsilane is sourced from PubChem (CID 11505055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).