3-[3-[3-[3,3-bis(3-hydroxycyclohexyl)propylphosphanyl]propylphosphanyl]-1-(3-hydroxycyclohexyl)propyl]cyclohexan-1-ol

C33H62O4P2 — CID 18757143

About 3-[3-[3-[3,3-bis(3-hydroxycyclohexyl)propylphosphanyl]propylphosphanyl]-1-(3-hydroxycyclohexyl)propyl]cyclohexan-1-ol

3-[3-[3-[3,3-bis(3-hydroxycyclohexyl)propylphosphanyl]propylphosphanyl]-1-(3-hydroxycyclohexyl)propyl]cyclohexan-1-ol (PubChem CID 18757143) has the molecular formula C33H62O4P2 and a molecular weight of 584.80 g/mol. Its IUPAC name is 3-[3-[3-[3,3-bis(3-hydroxycyclohexyl)propylphosphanyl]propylphosphanyl]-1-(3-hydroxycyclohexyl)propyl]cyclohexan-1-ol.

Molecular Properties

• Compound Name: 3-[3-[3-[3,3-bis(3-hydroxycyclohexyl)propylphosphanyl]propylphosphanyl]-1-(3-hydroxycyclohexyl)propyl]cyclohexan-1-ol
• PubChem CID: 18757143
• Molecular Formula: C33H62O4P2
• Molecular Weight: 584.80 g/mol
• Exact Mass: 584.41
• IUPAC Name: 3-[3-[3-[3,3-bis(3-hydroxycyclohexyl)propylphosphanyl]propylphosphanyl]-1-(3-hydroxycyclohexyl)propyl]cyclohexan-1-ol
• SMILES: OC1CCCC(C(CCPCCCPCCC(C2CCCC(O)C2)C2CCCC(O)C2)C2CCCC(O)C2)C1
• InChI: InChI=1S/C33H62O4P2/c34-28-10-1-6-24(20-28)32(25-7-2-11-29(35)21-25)14-18-38-16-5-17-39-19-15-33(26-8-3-12-30(36)22-26)27-9-4-13-31(37)23-27/h24-39H,1-23H2
• InChIKey: WNLSRIJVJWOUBI-UHFFFAOYSA-N
• XLogP: 6.95
• TPSA: 80.92 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 4
• Rotatable Bonds: 14
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	584.80
LogP ≤ 5	6.95
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-[3,3-bis(3-hydroxycyclohexyl)propylphosphanyl]propylphosphanyl]-1-(3-hydroxycyclohexyl)propyl]cyclohexan-1-ol?

The IUPAC name of 3-[3-[3-[3,3-bis(3-hydroxycyclohexyl)propylphosphanyl]propylphosphanyl]-1-(3-hydroxycyclohexyl)propyl]cyclohexan-1-ol (CID 18757143) is 3-[3-[3-[3,3-bis(3-hydroxycyclohexyl)propylphosphanyl]propylphosphanyl]-1-(3-hydroxycyclohexyl)propyl]cyclohexan-1-ol.

What is the SMILES notation for 3-[3-[3-[3,3-bis(3-hydroxycyclohexyl)propylphosphanyl]propylphosphanyl]-1-(3-hydroxycyclohexyl)propyl]cyclohexan-1-ol?

The canonical SMILES for 3-[3-[3-[3,3-bis(3-hydroxycyclohexyl)propylphosphanyl]propylphosphanyl]-1-(3-hydroxycyclohexyl)propyl]cyclohexan-1-ol is OC1CCCC(C(CCPCCCPCCC(C2CCCC(O)C2)C2CCCC(O)C2)C2CCCC(O)C2)C1.

What is the InChIKey of 3-[3-[3-[3,3-bis(3-hydroxycyclohexyl)propylphosphanyl]propylphosphanyl]-1-(3-hydroxycyclohexyl)propyl]cyclohexan-1-ol?

The InChIKey is WNLSRIJVJWOUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H62O4P2/c34-28-10-1-6-24(20-28)32(25-7-2-11-29(35)21-25)14-18-38-16-5-17-39-19-15-33(26-8-3-12-30(36)22-26)27-9-4-13-31(37)23-27/h24-39H,1-23H2.

What are the key properties of 3-[3-[3-[3,3-bis(3-hydroxycyclohexyl)propylphosphanyl]propylphosphanyl]-1-(3-hydroxycyclohexyl)propyl]cyclohexan-1-ol?

3-[3-[3-[3,3-bis(3-hydroxycyclohexyl)propylphosphanyl]propylphosphanyl]-1-(3-hydroxycyclohexyl)propyl]cyclohexan-1-ol has a molecular weight of 584.80 g/mol, XLogP of 6.95, 14 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[3-[3,3-bis(3-hydroxycyclohexyl)propylphosphanyl]propylphosphanyl]-1-(3-hydroxycyclohexyl)propyl]cyclohexan-1-ol is sourced from PubChem (CID 18757143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).