(6S,7R,10E)-4-(benzenesulfonyl)-12-[tert-butyl(diphenyl)silyl]oxy-2,6,10-trimethyl-7-triethylsilyloxydodeca-2,10-dien-6-ol

C43H64O5SSi2 — CID 11343186

About (6S,7R,10E)-4-(benzenesulfonyl)-12-[tert-butyl(diphenyl)silyl]oxy-2,6,10-trimethyl-7-triethylsilyloxydodeca-2,10-dien-6-ol

(6S,7R,10E)-4-(benzenesulfonyl)-12-[tert-butyl(diphenyl)silyl]oxy-2,6,10-trimethyl-7-triethylsilyloxydodeca-2,10-dien-6-ol (PubChem CID 11343186) has the molecular formula C43H64O5SSi2 and a molecular weight of 749.22 g/mol. Its IUPAC name is (6S,7R,10E)-4-(benzenesulfonyl)-12-[tert-butyl(diphenyl)silyl]oxy-2,6,10-trimethyl-7-triethylsilyloxydodeca-2,10-dien-6-ol.

Molecular Properties

• Compound Name: (6S,7R,10E)-4-(benzenesulfonyl)-12-[tert-butyl(diphenyl)silyl]oxy-2,6,10-trimethyl-7-triethylsilyloxydodeca-2,10-dien-6-ol
• PubChem CID: 11343186
• Molecular Formula: C43H64O5SSi2
• Molecular Weight: 749.22 g/mol
• Exact Mass: 748.40
• IUPAC Name: (6S,7R,10E)-4-(benzenesulfonyl)-12-[tert-butyl(diphenyl)silyl]oxy-2,6,10-trimethyl-7-triethylsilyloxydodeca-2,10-dien-6-ol
• SMILES: CC[Si](CC)(CC)O[C@H](CC/C(C)=C/CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@](C)(O)CC(C=C(C)C)S(=O)(=O)c1ccccc1
• InChI: InChI=1S/C43H64O5SSi2/c1-11-50(12-2,13-3)48-41(43(10,44)34-38(33-35(4)5)49(45,46)37-23-17-14-18-24-37)30-29-36(6)31-32-47-51(42(7,8)9,39-25-19-15-20-26-39)40-27-21-16-22-28-40/h14-28,31,33,38,41,44H,11-13,29-30,32,34H2,1-10H3/b36-31+/t38?,41-,43+/m1/s1
• InChIKey: GUHGOGAHHVBFTM-QJZFJSSGSA-N
• XLogP: 9.63
• TPSA: 72.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 19
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	749.22
LogP ≤ 5	9.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

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 (6S,7R,10E)-4-(benzenesulfonyl)-12-[tert-butyl(diphenyl)silyl]oxy-2,6,10-trimethyl-7-triethylsilyloxydodeca-2,10-dien-6-ol?

The IUPAC name of (6S,7R,10E)-4-(benzenesulfonyl)-12-[tert-butyl(diphenyl)silyl]oxy-2,6,10-trimethyl-7-triethylsilyloxydodeca-2,10-dien-6-ol (CID 11343186) is (6S,7R,10E)-4-(benzenesulfonyl)-12-[tert-butyl(diphenyl)silyl]oxy-2,6,10-trimethyl-7-triethylsilyloxydodeca-2,10-dien-6-ol.

What is the SMILES notation for (6S,7R,10E)-4-(benzenesulfonyl)-12-[tert-butyl(diphenyl)silyl]oxy-2,6,10-trimethyl-7-triethylsilyloxydodeca-2,10-dien-6-ol?

The canonical SMILES for (6S,7R,10E)-4-(benzenesulfonyl)-12-[tert-butyl(diphenyl)silyl]oxy-2,6,10-trimethyl-7-triethylsilyloxydodeca-2,10-dien-6-ol is CC[Si](CC)(CC)O[C@H](CC/C(C)=C/CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@](C)(O)CC(C=C(C)C)S(=O)(=O)c1ccccc1.

What is the InChIKey of (6S,7R,10E)-4-(benzenesulfonyl)-12-[tert-butyl(diphenyl)silyl]oxy-2,6,10-trimethyl-7-triethylsilyloxydodeca-2,10-dien-6-ol?

The InChIKey is GUHGOGAHHVBFTM-QJZFJSSGSA-N. The full InChI is InChI=1S/C43H64O5SSi2/c1-11-50(12-2,13-3)48-41(43(10,44)34-38(33-35(4)5)49(45,46)37-23-17-14-18-24-37)30-29-36(6)31-32-47-51(42(7,8)9,39-25-19-15-20-26-39)40-27-21-16-22-28-40/h14-28,31,33,38,41,44H,11-13,29-30,32,34H2,1-10H3/b36-31+/t38?,41-,43+/m1/s1.

What are the key properties of (6S,7R,10E)-4-(benzenesulfonyl)-12-[tert-butyl(diphenyl)silyl]oxy-2,6,10-trimethyl-7-triethylsilyloxydodeca-2,10-dien-6-ol?

(6S,7R,10E)-4-(benzenesulfonyl)-12-[tert-butyl(diphenyl)silyl]oxy-2,6,10-trimethyl-7-triethylsilyloxydodeca-2,10-dien-6-ol has a molecular weight of 749.22 g/mol, XLogP of 9.63, 19 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (6S,7R,10E)-4-(benzenesulfonyl)-12-[tert-butyl(diphenyl)silyl]oxy-2,6,10-trimethyl-7-triethylsilyloxydodeca-2,10-dien-6-ol is sourced from PubChem (CID 11343186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).