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

C33H62O4P2 — CID 18757143

IUPAC3-[3-[3-[3,3-bis(3-hydroxycyclohexyl)propylphosphanyl]propylphosphanyl]-1-(3-hydroxycyclohexyl)propyl]cyclohexan-1-ol
SMILESOC1CCCC(C(CCPCCCPCCC(C2CCCC(O)C2)C2CCCC(O)C2)C2CCCC(O)C2)C1
InChIInChI=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
InChIKeyWNLSRIJVJWOUBI-UHFFFAOYSA-N
MW584.80 g/mol
LogP6.95
Rot. Bonds14

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 Name3-[3-[3-[3,3-bis(3-hydroxycyclohexyl)propylphosphanyl]propylphosphanyl]-1-(3-hydroxycyclohexyl)propyl]cyclohexan-1-ol
PubChem CID18757143
Molecular FormulaC33H62O4P2
Molecular Weight584.80 g/mol
Exact Mass584.41
IUPAC Name3-[3-[3-[3,3-bis(3-hydroxycyclohexyl)propylphosphanyl]propylphosphanyl]-1-(3-hydroxycyclohexyl)propyl]cyclohexan-1-ol
SMILESOC1CCCC(C(CCPCCCPCCC(C2CCCC(O)C2)C2CCCC(O)C2)C2CCCC(O)C2)C1
InChIInChI=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
InChIKeyWNLSRIJVJWOUBI-UHFFFAOYSA-N
XLogP6.95
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.80
LogP ≤ 56.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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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).