1-[1-decoxy-8-(8,8-didecoxy-1-methoxyoct-2-enoxy)-8-methoxyoct-6-enoxy]decane

C58H114O7 — CID 162350322

About 1-[1-decoxy-8-(8,8-didecoxy-1-methoxyoct-2-enoxy)-8-methoxyoct-6-enoxy]decane

1-[1-decoxy-8-(8,8-didecoxy-1-methoxyoct-2-enoxy)-8-methoxyoct-6-enoxy]decane (PubChem CID 162350322) has the molecular formula C58H114O7 and a molecular weight of 923.54 g/mol. Its IUPAC name is 1-[1-decoxy-8-(8,8-didecoxy-1-methoxyoct-2-enoxy)-8-methoxyoct-6-enoxy]decane.

Molecular Properties

• Compound Name: 1-[1-decoxy-8-(8,8-didecoxy-1-methoxyoct-2-enoxy)-8-methoxyoct-6-enoxy]decane
• PubChem CID: 162350322
• Molecular Formula: C58H114O7
• Molecular Weight: 923.54 g/mol
• Exact Mass: 922.86
• IUPAC Name: 1-[1-decoxy-8-(8,8-didecoxy-1-methoxyoct-2-enoxy)-8-methoxyoct-6-enoxy]decane
• SMILES: CCCCCCCCCCOC(CCCCC=CC(OC)OC(C=CCCCCC(OCCCCCCCCCC)OCCCCCCCCCC)OC)OCCCCCCCCCC
• InChI: InChI=1S/C58H114O7/c1-7-11-15-19-23-27-35-43-51-61-57(62-52-44-36-28-24-20-16-12-8-2)49-41-33-31-39-47-55(59-5)65-56(60-6)48-40-32-34-42-50-58(63-53-45-37-29-25-21-17-13-9-3)64-54-46-38-30-26-22-18-14-10-4/h39-40,47-48,55-58H,7-38,41-46,49-54H2,1-6H3
• InChIKey: ZIPQIUBUQUCPOM-UHFFFAOYSA-N
• XLogP: 18.46
• TPSA: 64.61 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 56
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	923.54
LogP ≤ 5	18.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', '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 1-[1-decoxy-8-(8,8-didecoxy-1-methoxyoct-2-enoxy)-8-methoxyoct-6-enoxy]decane?

The IUPAC name of 1-[1-decoxy-8-(8,8-didecoxy-1-methoxyoct-2-enoxy)-8-methoxyoct-6-enoxy]decane (CID 162350322) is 1-[1-decoxy-8-(8,8-didecoxy-1-methoxyoct-2-enoxy)-8-methoxyoct-6-enoxy]decane.

What is the SMILES notation for 1-[1-decoxy-8-(8,8-didecoxy-1-methoxyoct-2-enoxy)-8-methoxyoct-6-enoxy]decane?

The canonical SMILES for 1-[1-decoxy-8-(8,8-didecoxy-1-methoxyoct-2-enoxy)-8-methoxyoct-6-enoxy]decane is CCCCCCCCCCOC(CCCCC=CC(OC)OC(C=CCCCCC(OCCCCCCCCCC)OCCCCCCCCCC)OC)OCCCCCCCCCC.

What is the InChIKey of 1-[1-decoxy-8-(8,8-didecoxy-1-methoxyoct-2-enoxy)-8-methoxyoct-6-enoxy]decane?

The InChIKey is ZIPQIUBUQUCPOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H114O7/c1-7-11-15-19-23-27-35-43-51-61-57(62-52-44-36-28-24-20-16-12-8-2)49-41-33-31-39-47-55(59-5)65-56(60-6)48-40-32-34-42-50-58(63-53-45-37-29-25-21-17-13-9-3)64-54-46-38-30-26-22-18-14-10-4/h39-40,47-48,55-58H,7-38,41-46,49-54H2,1-6H3.

What are the key properties of 1-[1-decoxy-8-(8,8-didecoxy-1-methoxyoct-2-enoxy)-8-methoxyoct-6-enoxy]decane?

1-[1-decoxy-8-(8,8-didecoxy-1-methoxyoct-2-enoxy)-8-methoxyoct-6-enoxy]decane has a molecular weight of 923.54 g/mol, XLogP of 18.46, 56 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-decoxy-8-(8,8-didecoxy-1-methoxyoct-2-enoxy)-8-methoxyoct-6-enoxy]decane is sourced from PubChem (CID 162350322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).