2-[[(E,1R)-1-[(2R,5R)-5-[(2R,5R)-5-[(1R,2E,7R,8E)-1,7-bis(2-trimethylsilylethoxymethoxy)undeca-2,8-dienyl]oxolan-2-yl]oxolan-2-yl]-6-[tert-butyl(dimethyl)silyl]oxyhex-2-enoxy]methoxy]ethyl-trimethylsilane

C49H98O9Si4 — CID 10581708

About 2-[[(E,1R)-1-[(2R,5R)-5-[(2R,5R)-5-[(1R,2E,7R,8E)-1,7-bis(2-trimethylsilylethoxymethoxy)undeca-2,8-dienyl]oxolan-2-yl]oxolan-2-yl]-6-[tert-butyl(dimethyl)silyl]oxyhex-2-enoxy]methoxy]ethyl-trimethylsilane

2-[[(E,1R)-1-[(2R,5R)-5-[(2R,5R)-5-[(1R,2E,7R,8E)-1,7-bis(2-trimethylsilylethoxymethoxy)undeca-2,8-dienyl]oxolan-2-yl]oxolan-2-yl]-6-[tert-butyl(dimethyl)silyl]oxyhex-2-enoxy]methoxy]ethyl-trimethylsilane (PubChem CID 10581708) has the molecular formula C49H98O9Si4 and a molecular weight of 943.66 g/mol. Its IUPAC name is 2-[[(E,1R)-1-[(2R,5R)-5-[(2R,5R)-5-[(1R,2E,7R,8E)-1,7-bis(2-trimethylsilylethoxymethoxy)undeca-2,8-dienyl]oxolan-2-yl]oxolan-2-yl]-6-[tert-butyl(dimethyl)silyl]oxyhex-2-enoxy]methoxy]ethyl-trimethylsilane.

Molecular Properties

• Compound Name: 2-[[(E,1R)-1-[(2R,5R)-5-[(2R,5R)-5-[(1R,2E,7R,8E)-1,7-bis(2-trimethylsilylethoxymethoxy)undeca-2,8-dienyl]oxolan-2-yl]oxolan-2-yl]-6-[tert-butyl(dimethyl)silyl]oxyhex-2-enoxy]methoxy]ethyl-trimethylsilane
• PubChem CID: 10581708
• Molecular Formula: C49H98O9Si4
• Molecular Weight: 943.66 g/mol
• Exact Mass: 942.63
• IUPAC Name: 2-[[(E,1R)-1-[(2R,5R)-5-[(2R,5R)-5-[(1R,2E,7R,8E)-1,7-bis(2-trimethylsilylethoxymethoxy)undeca-2,8-dienyl]oxolan-2-yl]oxolan-2-yl]-6-[tert-butyl(dimethyl)silyl]oxyhex-2-enoxy]methoxy]ethyl-trimethylsilane
• SMILES: CC/C=C/[C@@H](CCC/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)OCOCC[Si](C)(C)C
• InChI: InChI=1S/C49H98O9Si4/c1-16-17-24-42(53-39-50-33-36-59(5,6)7)25-20-18-21-26-43(54-40-51-34-37-60(8,9)10)45-28-30-47(57-45)48-31-29-46(58-48)44(55-41-52-35-38-61(11,12)13)27-22-19-23-32-56-62(14,15)49(2,3)4/h17,21-22,24,26-27,42-48H,16,18-20,23,25,28-41H2,1-15H3/b24-17+,26-21+,27-22+/t42-,43+,44+,45+,46+,47+,48+/m0/s1
• InChIKey: LOILREPGFNLXIU-PSTSDKHCSA-N
• XLogP: 13.23
• TPSA: 83.07 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 34
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	943.66
LogP ≤ 5	13.23
H-Bond Donors ≤ 5	0
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 2-[[(E,1R)-1-[(2R,5R)-5-[(2R,5R)-5-[(1R,2E,7R,8E)-1,7-bis(2-trimethylsilylethoxymethoxy)undeca-2,8-dienyl]oxolan-2-yl]oxolan-2-yl]-6-[tert-butyl(dimethyl)silyl]oxyhex-2-enoxy]methoxy]ethyl-trimethylsilane?

The IUPAC name of 2-[[(E,1R)-1-[(2R,5R)-5-[(2R,5R)-5-[(1R,2E,7R,8E)-1,7-bis(2-trimethylsilylethoxymethoxy)undeca-2,8-dienyl]oxolan-2-yl]oxolan-2-yl]-6-[tert-butyl(dimethyl)silyl]oxyhex-2-enoxy]methoxy]ethyl-trimethylsilane (CID 10581708) is 2-[[(E,1R)-1-[(2R,5R)-5-[(2R,5R)-5-[(1R,2E,7R,8E)-1,7-bis(2-trimethylsilylethoxymethoxy)undeca-2,8-dienyl]oxolan-2-yl]oxolan-2-yl]-6-[tert-butyl(dimethyl)silyl]oxyhex-2-enoxy]methoxy]ethyl-trimethylsilane.

What is the SMILES notation for 2-[[(E,1R)-1-[(2R,5R)-5-[(2R,5R)-5-[(1R,2E,7R,8E)-1,7-bis(2-trimethylsilylethoxymethoxy)undeca-2,8-dienyl]oxolan-2-yl]oxolan-2-yl]-6-[tert-butyl(dimethyl)silyl]oxyhex-2-enoxy]methoxy]ethyl-trimethylsilane?

The canonical SMILES for 2-[[(E,1R)-1-[(2R,5R)-5-[(2R,5R)-5-[(1R,2E,7R,8E)-1,7-bis(2-trimethylsilylethoxymethoxy)undeca-2,8-dienyl]oxolan-2-yl]oxolan-2-yl]-6-[tert-butyl(dimethyl)silyl]oxyhex-2-enoxy]methoxy]ethyl-trimethylsilane is CC/C=C/[C@@H](CCC/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)OCOCC[Si](C)(C)C.

What is the InChIKey of 2-[[(E,1R)-1-[(2R,5R)-5-[(2R,5R)-5-[(1R,2E,7R,8E)-1,7-bis(2-trimethylsilylethoxymethoxy)undeca-2,8-dienyl]oxolan-2-yl]oxolan-2-yl]-6-[tert-butyl(dimethyl)silyl]oxyhex-2-enoxy]methoxy]ethyl-trimethylsilane?

The InChIKey is LOILREPGFNLXIU-PSTSDKHCSA-N. The full InChI is InChI=1S/C49H98O9Si4/c1-16-17-24-42(53-39-50-33-36-59(5,6)7)25-20-18-21-26-43(54-40-51-34-37-60(8,9)10)45-28-30-47(57-45)48-31-29-46(58-48)44(55-41-52-35-38-61(11,12)13)27-22-19-23-32-56-62(14,15)49(2,3)4/h17,21-22,24,26-27,42-48H,16,18-20,23,25,28-41H2,1-15H3/b24-17+,26-21+,27-22+/t42-,43+,44+,45+,46+,47+,48+/m0/s1.

What are the key properties of 2-[[(E,1R)-1-[(2R,5R)-5-[(2R,5R)-5-[(1R,2E,7R,8E)-1,7-bis(2-trimethylsilylethoxymethoxy)undeca-2,8-dienyl]oxolan-2-yl]oxolan-2-yl]-6-[tert-butyl(dimethyl)silyl]oxyhex-2-enoxy]methoxy]ethyl-trimethylsilane?

2-[[(E,1R)-1-[(2R,5R)-5-[(2R,5R)-5-[(1R,2E,7R,8E)-1,7-bis(2-trimethylsilylethoxymethoxy)undeca-2,8-dienyl]oxolan-2-yl]oxolan-2-yl]-6-[tert-butyl(dimethyl)silyl]oxyhex-2-enoxy]methoxy]ethyl-trimethylsilane has a molecular weight of 943.66 g/mol, XLogP of 13.23, 34 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[(E,1R)-1-[(2R,5R)-5-[(2R,5R)-5-[(1R,2E,7R,8E)-1,7-bis(2-trimethylsilylethoxymethoxy)undeca-2,8-dienyl]oxolan-2-yl]oxolan-2-yl]-6-[tert-butyl(dimethyl)silyl]oxyhex-2-enoxy]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 10581708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).