(5R,6Z,8Z,10E)-5-[tert-butyl(dimethyl)silyl]oxy-12-[tert-butyl(diphenyl)silyl]oxy-2-methyl-2-triethylsilyloxydodeca-6,8,10-trien-3-ol

C41H68O4Si3 — CID 134831510

About (5R,6Z,8Z,10E)-5-[tert-butyl(dimethyl)silyl]oxy-12-[tert-butyl(diphenyl)silyl]oxy-2-methyl-2-triethylsilyloxydodeca-6,8,10-trien-3-ol

(5R,6Z,8Z,10E)-5-[tert-butyl(dimethyl)silyl]oxy-12-[tert-butyl(diphenyl)silyl]oxy-2-methyl-2-triethylsilyloxydodeca-6,8,10-trien-3-ol (PubChem CID 134831510) has the molecular formula C41H68O4Si3 and a molecular weight of 709.25 g/mol. Its IUPAC name is (5R,6Z,8Z,10E)-5-[tert-butyl(dimethyl)silyl]oxy-12-[tert-butyl(diphenyl)silyl]oxy-2-methyl-2-triethylsilyloxydodeca-6,8,10-trien-3-ol.

Molecular Properties

• Compound Name: (5R,6Z,8Z,10E)-5-[tert-butyl(dimethyl)silyl]oxy-12-[tert-butyl(diphenyl)silyl]oxy-2-methyl-2-triethylsilyloxydodeca-6,8,10-trien-3-ol
• PubChem CID: 134831510
• Molecular Formula: C41H68O4Si3
• Molecular Weight: 709.25 g/mol
• Exact Mass: 708.44
• IUPAC Name: (5R,6Z,8Z,10E)-5-[tert-butyl(dimethyl)silyl]oxy-12-[tert-butyl(diphenyl)silyl]oxy-2-methyl-2-triethylsilyloxydodeca-6,8,10-trien-3-ol
• SMILES: CC[Si](CC)(CC)OC(C)(C)C(O)C[C@H](/C=C\C=C/C=C/CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C41H68O4Si3/c1-14-47(15-2,16-3)45-41(10,11)38(42)34-35(44-46(12,13)39(4,5)6)28-22-18-17-19-27-33-43-48(40(7,8)9,36-29-23-20-24-30-36)37-31-25-21-26-32-37/h17-32,35,38,42H,14-16,33-34H2,1-13H3/b18-17-,27-19+,28-22-/t35-,38?/m0/s1
• InChIKey: TZXCXKOQCLOFRB-RBGMNUDUSA-N
• XLogP: 10.17
• TPSA: 47.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 18
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	709.25
LogP ≤ 5	10.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5R,6Z,8Z,10E)-5-[tert-butyl(dimethyl)silyl]oxy-12-[tert-butyl(diphenyl)silyl]oxy-2-methyl-2-triethylsilyloxydodeca-6,8,10-trien-3-ol?

The IUPAC name of (5R,6Z,8Z,10E)-5-[tert-butyl(dimethyl)silyl]oxy-12-[tert-butyl(diphenyl)silyl]oxy-2-methyl-2-triethylsilyloxydodeca-6,8,10-trien-3-ol (CID 134831510) is (5R,6Z,8Z,10E)-5-[tert-butyl(dimethyl)silyl]oxy-12-[tert-butyl(diphenyl)silyl]oxy-2-methyl-2-triethylsilyloxydodeca-6,8,10-trien-3-ol.

What is the SMILES notation for (5R,6Z,8Z,10E)-5-[tert-butyl(dimethyl)silyl]oxy-12-[tert-butyl(diphenyl)silyl]oxy-2-methyl-2-triethylsilyloxydodeca-6,8,10-trien-3-ol?

The canonical SMILES for (5R,6Z,8Z,10E)-5-[tert-butyl(dimethyl)silyl]oxy-12-[tert-butyl(diphenyl)silyl]oxy-2-methyl-2-triethylsilyloxydodeca-6,8,10-trien-3-ol is CC[Si](CC)(CC)OC(C)(C)C(O)C[C@H](/C=C\C=C/C=C/CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)O[Si](C)(C)C(C)(C)C.

What is the InChIKey of (5R,6Z,8Z,10E)-5-[tert-butyl(dimethyl)silyl]oxy-12-[tert-butyl(diphenyl)silyl]oxy-2-methyl-2-triethylsilyloxydodeca-6,8,10-trien-3-ol?

The InChIKey is TZXCXKOQCLOFRB-RBGMNUDUSA-N. The full InChI is InChI=1S/C41H68O4Si3/c1-14-47(15-2,16-3)45-41(10,11)38(42)34-35(44-46(12,13)39(4,5)6)28-22-18-17-19-27-33-43-48(40(7,8)9,36-29-23-20-24-30-36)37-31-25-21-26-32-37/h17-32,35,38,42H,14-16,33-34H2,1-13H3/b18-17-,27-19+,28-22-/t35-,38?/m0/s1.

What are the key properties of (5R,6Z,8Z,10E)-5-[tert-butyl(dimethyl)silyl]oxy-12-[tert-butyl(diphenyl)silyl]oxy-2-methyl-2-triethylsilyloxydodeca-6,8,10-trien-3-ol?

(5R,6Z,8Z,10E)-5-[tert-butyl(dimethyl)silyl]oxy-12-[tert-butyl(diphenyl)silyl]oxy-2-methyl-2-triethylsilyloxydodeca-6,8,10-trien-3-ol has a molecular weight of 709.25 g/mol, XLogP of 10.17, 18 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (5R,6Z,8Z,10E)-5-[tert-butyl(dimethyl)silyl]oxy-12-[tert-butyl(diphenyl)silyl]oxy-2-methyl-2-triethylsilyloxydodeca-6,8,10-trien-3-ol is sourced from PubChem (CID 134831510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).