[(1R,2R)-2-diphenylphosphanyloxycyclohexyl]oxy-diphenylphosphane

C30H30O2P2 — CID 10876473

IUPAC[(1R,2R)-2-diphenylphosphanyloxycyclohexyl]oxy-diphenylphosphane
SMILESc1ccc(P(O[C@@H]2CCCC[C@H]2OP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C30H30O2P2/c1-5-15-25(16-6-1)33(26-17-7-2-8-18-26)31-29-23-13-14-24-30(29)32-34(27-19-9-3-10-20-27)28-21-11-4-12-22-28/h1-12,15-22,29-30H,13-14,23-24H2/t29-,30-/m1/s1
InChIKeyRBJWTUHNUVPCOR-LOYHVIPDSA-N
MW484.52 g/mol
LogP6.43
Rot. Bonds8

About [(1R,2R)-2-diphenylphosphanyloxycyclohexyl]oxy-diphenylphosphane

[(1R,2R)-2-diphenylphosphanyloxycyclohexyl]oxy-diphenylphosphane (PubChem CID 10876473) has the molecular formula C30H30O2P2 and a molecular weight of 484.52 g/mol. Its IUPAC name is [(1R,2R)-2-diphenylphosphanyloxycyclohexyl]oxy-diphenylphosphane.

Molecular Properties

Compound Name[(1R,2R)-2-diphenylphosphanyloxycyclohexyl]oxy-diphenylphosphane
PubChem CID10876473
Molecular FormulaC30H30O2P2
Molecular Weight484.52 g/mol
Exact Mass484.17
IUPAC Name[(1R,2R)-2-diphenylphosphanyloxycyclohexyl]oxy-diphenylphosphane
SMILESc1ccc(P(O[C@@H]2CCCC[C@H]2OP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C30H30O2P2/c1-5-15-25(16-6-1)33(26-17-7-2-8-18-26)31-29-23-13-14-24-30(29)32-34(27-19-9-3-10-20-27)28-21-11-4-12-22-28/h1-12,15-22,29-30H,13-14,23-24H2/t29-,30-/m1/s1
InChIKeyRBJWTUHNUVPCOR-LOYHVIPDSA-N
XLogP6.43
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.52
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-diphenylphosphanyloxycyclohexyl]oxy-diphenylphosphane?
The IUPAC name of [(1R,2R)-2-diphenylphosphanyloxycyclohexyl]oxy-diphenylphosphane (CID 10876473) is [(1R,2R)-2-diphenylphosphanyloxycyclohexyl]oxy-diphenylphosphane.
What is the SMILES notation for [(1R,2R)-2-diphenylphosphanyloxycyclohexyl]oxy-diphenylphosphane?
The canonical SMILES for [(1R,2R)-2-diphenylphosphanyloxycyclohexyl]oxy-diphenylphosphane is c1ccc(P(O[C@@H]2CCCC[C@H]2OP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of [(1R,2R)-2-diphenylphosphanyloxycyclohexyl]oxy-diphenylphosphane?
The InChIKey is RBJWTUHNUVPCOR-LOYHVIPDSA-N. The full InChI is InChI=1S/C30H30O2P2/c1-5-15-25(16-6-1)33(26-17-7-2-8-18-26)31-29-23-13-14-24-30(29)32-34(27-19-9-3-10-20-27)28-21-11-4-12-22-28/h1-12,15-22,29-30H,13-14,23-24H2/t29-,30-/m1/s1.
What are the key properties of [(1R,2R)-2-diphenylphosphanyloxycyclohexyl]oxy-diphenylphosphane?
[(1R,2R)-2-diphenylphosphanyloxycyclohexyl]oxy-diphenylphosphane has a molecular weight of 484.52 g/mol, XLogP of 6.43, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-diphenylphosphanyloxycyclohexyl]oxy-diphenylphosphane is sourced from PubChem (CID 10876473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).