tris(1-cyclohexylcyclohexyl)phosphane

C36H63P — CID 68554407

IUPACtris(1-cyclohexylcyclohexyl)phosphane
SMILESC1CCC(C2(P(C3(C4CCCCC4)CCCCC3)C3(C4CCCCC4)CCCCC3)CCCCC2)CC1
InChIInChI=1S/C36H63P/c1-7-19-31(20-8-1)34(25-13-4-14-26-34)37(35(27-15-5-16-28-35)32-21-9-2-10-22-32)36(29-17-6-18-30-36)33-23-11-3-12-24-33/h31-33H,1-30H2
InChIKeyTZTKAXXISQBXFV-UHFFFAOYSA-N
MW526.87 g/mol
LogP12.32
Rot. Bonds6

About tris(1-cyclohexylcyclohexyl)phosphane

tris(1-cyclohexylcyclohexyl)phosphane (PubChem CID 68554407) has the molecular formula C36H63P and a molecular weight of 526.87 g/mol. Its IUPAC name is tris(1-cyclohexylcyclohexyl)phosphane.

Molecular Properties

Compound Nametris(1-cyclohexylcyclohexyl)phosphane
PubChem CID68554407
Molecular FormulaC36H63P
Molecular Weight526.87 g/mol
Exact Mass526.47
IUPAC Nametris(1-cyclohexylcyclohexyl)phosphane
SMILESC1CCC(C2(P(C3(C4CCCCC4)CCCCC3)C3(C4CCCCC4)CCCCC3)CCCCC2)CC1
InChIInChI=1S/C36H63P/c1-7-19-31(20-8-1)34(25-13-4-14-26-34)37(35(27-15-5-16-28-35)32-21-9-2-10-22-32)36(29-17-6-18-30-36)33-23-11-3-12-24-33/h31-33H,1-30H2
InChIKeyTZTKAXXISQBXFV-UHFFFAOYSA-N
XLogP12.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.87
LogP ≤ 512.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tris(1-cyclohexylcyclohexyl)phosphane?
The IUPAC name of tris(1-cyclohexylcyclohexyl)phosphane (CID 68554407) is tris(1-cyclohexylcyclohexyl)phosphane.
What is the SMILES notation for tris(1-cyclohexylcyclohexyl)phosphane?
The canonical SMILES for tris(1-cyclohexylcyclohexyl)phosphane is C1CCC(C2(P(C3(C4CCCCC4)CCCCC3)C3(C4CCCCC4)CCCCC3)CCCCC2)CC1.
What is the InChIKey of tris(1-cyclohexylcyclohexyl)phosphane?
The InChIKey is TZTKAXXISQBXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H63P/c1-7-19-31(20-8-1)34(25-13-4-14-26-34)37(35(27-15-5-16-28-35)32-21-9-2-10-22-32)36(29-17-6-18-30-36)33-23-11-3-12-24-33/h31-33H,1-30H2.
What are the key properties of tris(1-cyclohexylcyclohexyl)phosphane?
tris(1-cyclohexylcyclohexyl)phosphane has a molecular weight of 526.87 g/mol, XLogP of 12.32, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(1-cyclohexylcyclohexyl)phosphane is sourced from PubChem (CID 68554407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).