methyl (5S,6E,8Z)-11-[tert-butyl(dimethyl)silyl]oxy-5-[tert-butyl(diphenyl)silyl]oxyundeca-6,8-dienoate

C34H52O4Si2 — CID 11250177

About methyl (5S,6E,8Z)-11-[tert-butyl(dimethyl)silyl]oxy-5-[tert-butyl(diphenyl)silyl]oxyundeca-6,8-dienoate

methyl (5S,6E,8Z)-11-[tert-butyl(dimethyl)silyl]oxy-5-[tert-butyl(diphenyl)silyl]oxyundeca-6,8-dienoate (PubChem CID 11250177) has the molecular formula C34H52O4Si2 and a molecular weight of 580.96 g/mol. Its IUPAC name is methyl (5S,6E,8Z)-11-[tert-butyl(dimethyl)silyl]oxy-5-[tert-butyl(diphenyl)silyl]oxyundeca-6,8-dienoate.

Molecular Properties

• Compound Name: methyl (5S,6E,8Z)-11-[tert-butyl(dimethyl)silyl]oxy-5-[tert-butyl(diphenyl)silyl]oxyundeca-6,8-dienoate
• PubChem CID: 11250177
• Molecular Formula: C34H52O4Si2
• Molecular Weight: 580.96 g/mol
• Exact Mass: 580.34
• IUPAC Name: methyl (5S,6E,8Z)-11-[tert-butyl(dimethyl)silyl]oxy-5-[tert-butyl(diphenyl)silyl]oxyundeca-6,8-dienoate
• SMILES: COC(=O)CCC[C@@H](/C=C/C=C\CCO[Si](C)(C)C(C)(C)C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
• InChI: InChI=1S/C34H52O4Si2/c1-33(2,3)39(8,9)37-28-19-11-10-14-21-29(22-20-27-32(35)36-7)38-40(34(4,5)6,30-23-15-12-16-24-30)31-25-17-13-18-26-31/h10-18,21,23-26,29H,19-20,22,27-28H2,1-9H3/b11-10-,21-14+/t29-/m1/s1
• InChIKey: FMSGMTSPLGSQDM-WKLYFREDSA-N
• XLogP: 7.80
• TPSA: 44.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 14
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	580.96
LogP ≤ 5	7.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methyl (5S,6E,8Z)-11-[tert-butyl(dimethyl)silyl]oxy-5-[tert-butyl(diphenyl)silyl]oxyundeca-6,8-dienoate?

The IUPAC name of methyl (5S,6E,8Z)-11-[tert-butyl(dimethyl)silyl]oxy-5-[tert-butyl(diphenyl)silyl]oxyundeca-6,8-dienoate (CID 11250177) is methyl (5S,6E,8Z)-11-[tert-butyl(dimethyl)silyl]oxy-5-[tert-butyl(diphenyl)silyl]oxyundeca-6,8-dienoate.

What is the SMILES notation for methyl (5S,6E,8Z)-11-[tert-butyl(dimethyl)silyl]oxy-5-[tert-butyl(diphenyl)silyl]oxyundeca-6,8-dienoate?

The canonical SMILES for methyl (5S,6E,8Z)-11-[tert-butyl(dimethyl)silyl]oxy-5-[tert-butyl(diphenyl)silyl]oxyundeca-6,8-dienoate is COC(=O)CCC[C@@H](/C=C/C=C\CCO[Si](C)(C)C(C)(C)C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.

What is the InChIKey of methyl (5S,6E,8Z)-11-[tert-butyl(dimethyl)silyl]oxy-5-[tert-butyl(diphenyl)silyl]oxyundeca-6,8-dienoate?

The InChIKey is FMSGMTSPLGSQDM-WKLYFREDSA-N. The full InChI is InChI=1S/C34H52O4Si2/c1-33(2,3)39(8,9)37-28-19-11-10-14-21-29(22-20-27-32(35)36-7)38-40(34(4,5)6,30-23-15-12-16-24-30)31-25-17-13-18-26-31/h10-18,21,23-26,29H,19-20,22,27-28H2,1-9H3/b11-10-,21-14+/t29-/m1/s1.

What are the key properties of methyl (5S,6E,8Z)-11-[tert-butyl(dimethyl)silyl]oxy-5-[tert-butyl(diphenyl)silyl]oxyundeca-6,8-dienoate?

methyl (5S,6E,8Z)-11-[tert-butyl(dimethyl)silyl]oxy-5-[tert-butyl(diphenyl)silyl]oxyundeca-6,8-dienoate has a molecular weight of 580.96 g/mol, XLogP of 7.80, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for methyl (5S,6E,8Z)-11-[tert-butyl(dimethyl)silyl]oxy-5-[tert-butyl(diphenyl)silyl]oxyundeca-6,8-dienoate is sourced from PubChem (CID 11250177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).