(1R,2E,6R,7S,8E)-7-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,5R)-5-[(2R,5R)-5-[(E,1R)-6-[tert-butyl(dimethyl)silyl]oxy-1-(2-trimethylsilylethoxymethoxy)hex-2-enyl]oxolan-2-yl]oxolan-2-yl]-1-(2-trimethylsilylethoxymethoxy)undeca-2,8-dien-6-ol

C49H98O9Si4 — CID 10510098

About (1R,2E,6R,7S,8E)-7-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,5R)-5-[(2R,5R)-5-[(E,1R)-6-[tert-butyl(dimethyl)silyl]oxy-1-(2-trimethylsilylethoxymethoxy)hex-2-enyl]oxolan-2-yl]oxolan-2-yl]-1-(2-trimethylsilylethoxymethoxy)undeca-2,8-dien-6-ol

(1R,2E,6R,7S,8E)-7-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,5R)-5-[(2R,5R)-5-[(E,1R)-6-[tert-butyl(dimethyl)silyl]oxy-1-(2-trimethylsilylethoxymethoxy)hex-2-enyl]oxolan-2-yl]oxolan-2-yl]-1-(2-trimethylsilylethoxymethoxy)undeca-2,8-dien-6-ol (PubChem CID 10510098) has the molecular formula C49H98O9Si4 and a molecular weight of 943.66 g/mol. Its IUPAC name is (1R,2E,6R,7S,8E)-7-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,5R)-5-[(2R,5R)-5-[(E,1R)-6-[tert-butyl(dimethyl)silyl]oxy-1-(2-trimethylsilylethoxymethoxy)hex-2-enyl]oxolan-2-yl]oxolan-2-yl]-1-(2-trimethylsilylethoxymethoxy)undeca-2,8-dien-6-ol.

Molecular Properties

• Compound Name: (1R,2E,6R,7S,8E)-7-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,5R)-5-[(2R,5R)-5-[(E,1R)-6-[tert-butyl(dimethyl)silyl]oxy-1-(2-trimethylsilylethoxymethoxy)hex-2-enyl]oxolan-2-yl]oxolan-2-yl]-1-(2-trimethylsilylethoxymethoxy)undeca-2,8-dien-6-ol
• PubChem CID: 10510098
• Molecular Formula: C49H98O9Si4
• Molecular Weight: 943.66 g/mol
• Exact Mass: 942.63
• IUPAC Name: (1R,2E,6R,7S,8E)-7-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,5R)-5-[(2R,5R)-5-[(E,1R)-6-[tert-butyl(dimethyl)silyl]oxy-1-(2-trimethylsilylethoxymethoxy)hex-2-enyl]oxolan-2-yl]oxolan-2-yl]-1-(2-trimethylsilylethoxymethoxy)undeca-2,8-dien-6-ol
• SMILES: CC/C=C/[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CC/C=C/[C@@H](OCOCC[Si](C)(C)C)[C@H]1CC[C@H]([C@H]2CC[C@H]([C@@H](/C=C/CCCO[Si](C)(C)C(C)(C)C)OCOCC[Si](C)(C)C)O2)O1
• InChI: InChI=1S/C49H98O9Si4/c1-18-19-26-41(58-62(16,17)49(5,6)7)40(50)25-22-23-28-43(54-39-52-35-37-60(11,12)13)45-30-32-47(57-45)46-31-29-44(56-46)42(53-38-51-34-36-59(8,9)10)27-21-20-24-33-55-61(14,15)48(2,3)4/h19,21,23,26-28,40-47,50H,18,20,22,24-25,29-39H2,1-17H3/b26-19+,27-21+,28-23+/t40-,41+,42-,43-,44-,45-,46-,47-/m1/s1
• InChIKey: PWOFYLZSEMOIBR-BXFBBCIPSA-N
• XLogP: 12.89
• TPSA: 94.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 30
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	943.66
LogP ≤ 5	12.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (1R,2E,6R,7S,8E)-7-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,5R)-5-[(2R,5R)-5-[(E,1R)-6-[tert-butyl(dimethyl)silyl]oxy-1-(2-trimethylsilylethoxymethoxy)hex-2-enyl]oxolan-2-yl]oxolan-2-yl]-1-(2-trimethylsilylethoxymethoxy)undeca-2,8-dien-6-ol?

The IUPAC name of (1R,2E,6R,7S,8E)-7-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,5R)-5-[(2R,5R)-5-[(E,1R)-6-[tert-butyl(dimethyl)silyl]oxy-1-(2-trimethylsilylethoxymethoxy)hex-2-enyl]oxolan-2-yl]oxolan-2-yl]-1-(2-trimethylsilylethoxymethoxy)undeca-2,8-dien-6-ol (CID 10510098) is (1R,2E,6R,7S,8E)-7-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,5R)-5-[(2R,5R)-5-[(E,1R)-6-[tert-butyl(dimethyl)silyl]oxy-1-(2-trimethylsilylethoxymethoxy)hex-2-enyl]oxolan-2-yl]oxolan-2-yl]-1-(2-trimethylsilylethoxymethoxy)undeca-2,8-dien-6-ol.

What is the SMILES notation for (1R,2E,6R,7S,8E)-7-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,5R)-5-[(2R,5R)-5-[(E,1R)-6-[tert-butyl(dimethyl)silyl]oxy-1-(2-trimethylsilylethoxymethoxy)hex-2-enyl]oxolan-2-yl]oxolan-2-yl]-1-(2-trimethylsilylethoxymethoxy)undeca-2,8-dien-6-ol?

The canonical SMILES for (1R,2E,6R,7S,8E)-7-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,5R)-5-[(2R,5R)-5-[(E,1R)-6-[tert-butyl(dimethyl)silyl]oxy-1-(2-trimethylsilylethoxymethoxy)hex-2-enyl]oxolan-2-yl]oxolan-2-yl]-1-(2-trimethylsilylethoxymethoxy)undeca-2,8-dien-6-ol is CC/C=C/[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CC/C=C/[C@@H](OCOCC[Si](C)(C)C)[C@H]1CC[C@H]([C@H]2CC[C@H]([C@@H](/C=C/CCCO[Si](C)(C)C(C)(C)C)OCOCC[Si](C)(C)C)O2)O1.

What is the InChIKey of (1R,2E,6R,7S,8E)-7-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,5R)-5-[(2R,5R)-5-[(E,1R)-6-[tert-butyl(dimethyl)silyl]oxy-1-(2-trimethylsilylethoxymethoxy)hex-2-enyl]oxolan-2-yl]oxolan-2-yl]-1-(2-trimethylsilylethoxymethoxy)undeca-2,8-dien-6-ol?

The InChIKey is PWOFYLZSEMOIBR-BXFBBCIPSA-N. The full InChI is InChI=1S/C49H98O9Si4/c1-18-19-26-41(58-62(16,17)49(5,6)7)40(50)25-22-23-28-43(54-39-52-35-37-60(11,12)13)45-30-32-47(57-45)46-31-29-44(56-46)42(53-38-51-34-36-59(8,9)10)27-21-20-24-33-55-61(14,15)48(2,3)4/h19,21,23,26-28,40-47,50H,18,20,22,24-25,29-39H2,1-17H3/b26-19+,27-21+,28-23+/t40-,41+,42-,43-,44-,45-,46-,47-/m1/s1.

What are the key properties of (1R,2E,6R,7S,8E)-7-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,5R)-5-[(2R,5R)-5-[(E,1R)-6-[tert-butyl(dimethyl)silyl]oxy-1-(2-trimethylsilylethoxymethoxy)hex-2-enyl]oxolan-2-yl]oxolan-2-yl]-1-(2-trimethylsilylethoxymethoxy)undeca-2,8-dien-6-ol?

(1R,2E,6R,7S,8E)-7-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,5R)-5-[(2R,5R)-5-[(E,1R)-6-[tert-butyl(dimethyl)silyl]oxy-1-(2-trimethylsilylethoxymethoxy)hex-2-enyl]oxolan-2-yl]oxolan-2-yl]-1-(2-trimethylsilylethoxymethoxy)undeca-2,8-dien-6-ol has a molecular weight of 943.66 g/mol, XLogP of 12.89, 30 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,2E,6R,7S,8E)-7-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,5R)-5-[(2R,5R)-5-[(E,1R)-6-[tert-butyl(dimethyl)silyl]oxy-1-(2-trimethylsilylethoxymethoxy)hex-2-enyl]oxolan-2-yl]oxolan-2-yl]-1-(2-trimethylsilylethoxymethoxy)undeca-2,8-dien-6-ol is sourced from PubChem (CID 10510098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).