1-[2-[2-[2-[2-[2,3-bis[(Z)-octadec-9-enoxy]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]propylidenephosphane

C50H97O7P — CID 166948214

About 1-[2-[2-[2-[2-[2,3-bis[(Z)-octadec-9-enoxy]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]propylidenephosphane

1-[2-[2-[2-[2-[2,3-bis[(Z)-octadec-9-enoxy]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]propylidenephosphane (PubChem CID 166948214) has the molecular formula C50H97O7P and a molecular weight of 841.29 g/mol. Its IUPAC name is 1-[2-[2-[2-[2-[2,3-bis[(Z)-octadec-9-enoxy]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]propylidenephosphane.

Molecular Properties

• Compound Name: 1-[2-[2-[2-[2-[2,3-bis[(Z)-octadec-9-enoxy]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]propylidenephosphane
• PubChem CID: 166948214
• Molecular Formula: C50H97O7P
• Molecular Weight: 841.29 g/mol
• Exact Mass: 840.70
• IUPAC Name: 1-[2-[2-[2-[2-[2,3-bis[(Z)-octadec-9-enoxy]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]propylidenephosphane
• SMILES: [H]/P=C(\CC)OCCOCCOCCOCCOCC(COCCCCCCCC/C=C\CCCCCCCC)OCCCCCCCC/C=C\CCCCCCCC
• InChI: InChI=1S/C50H97O7P/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-54-47-49(48-55-44-43-52-40-39-51-41-42-53-45-46-57-50(58)6-3)56-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2/h19-22,49,58H,4-18,23-48H2,1-3H3/b21-19-,22-20-
• InChIKey: SOXBQDJYYRRCEK-WRBBJXAJSA-N
• XLogP: 14.23
• TPSA: 64.61 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 51
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	841.29
LogP ≤ 5	14.23
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[2-[2-[2,3-bis[(Z)-octadec-9-enoxy]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]propylidenephosphane?

The IUPAC name of 1-[2-[2-[2-[2-[2,3-bis[(Z)-octadec-9-enoxy]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]propylidenephosphane (CID 166948214) is 1-[2-[2-[2-[2-[2,3-bis[(Z)-octadec-9-enoxy]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]propylidenephosphane.

What is the SMILES notation for 1-[2-[2-[2-[2-[2,3-bis[(Z)-octadec-9-enoxy]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]propylidenephosphane?

The canonical SMILES for 1-[2-[2-[2-[2-[2,3-bis[(Z)-octadec-9-enoxy]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]propylidenephosphane is [H]/P=C(\CC)OCCOCCOCCOCCOCC(COCCCCCCCC/C=C\CCCCCCCC)OCCCCCCCC/C=C\CCCCCCCC.

What is the InChIKey of 1-[2-[2-[2-[2-[2,3-bis[(Z)-octadec-9-enoxy]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]propylidenephosphane?

The InChIKey is SOXBQDJYYRRCEK-WRBBJXAJSA-N. The full InChI is InChI=1S/C50H97O7P/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-54-47-49(48-55-44-43-52-40-39-51-41-42-53-45-46-57-50(58)6-3)56-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2/h19-22,49,58H,4-18,23-48H2,1-3H3/b21-19-,22-20-.

What are the key properties of 1-[2-[2-[2-[2-[2,3-bis[(Z)-octadec-9-enoxy]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]propylidenephosphane?

1-[2-[2-[2-[2-[2,3-bis[(Z)-octadec-9-enoxy]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]propylidenephosphane has a molecular weight of 841.29 g/mol, XLogP of 14.23, 51 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[2-[2-[2-[2,3-bis[(Z)-octadec-9-enoxy]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]propylidenephosphane is sourced from PubChem (CID 166948214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).