cyclohexyl-(1,1-dicyclohexyl-2-phosphanylethyl)phosphane

C20H38P2 — CID 174725587

IUPACcyclohexyl-(1,1-dicyclohexyl-2-phosphanylethyl)phosphane
SMILESPCC(PC1CCCCC1)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C20H38P2/c21-16-20(17-10-4-1-5-11-17,18-12-6-2-7-13-18)22-19-14-8-3-9-15-19/h17-19,22H,1-16,21H2
InChIKeyUJDIACSLOKTPQI-UHFFFAOYSA-N
MW340.47 g/mol
LogP6.77
Rot. Bonds5

About cyclohexyl-(1,1-dicyclohexyl-2-phosphanylethyl)phosphane

cyclohexyl-(1,1-dicyclohexyl-2-phosphanylethyl)phosphane (PubChem CID 174725587) has the molecular formula C20H38P2 and a molecular weight of 340.47 g/mol. Its IUPAC name is cyclohexyl-(1,1-dicyclohexyl-2-phosphanylethyl)phosphane.

Molecular Properties

Compound Namecyclohexyl-(1,1-dicyclohexyl-2-phosphanylethyl)phosphane
PubChem CID174725587
Molecular FormulaC20H38P2
Molecular Weight340.47 g/mol
Exact Mass340.24
IUPAC Namecyclohexyl-(1,1-dicyclohexyl-2-phosphanylethyl)phosphane
SMILESPCC(PC1CCCCC1)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C20H38P2/c21-16-20(17-10-4-1-5-11-17,18-12-6-2-7-13-18)22-19-14-8-3-9-15-19/h17-19,22H,1-16,21H2
InChIKeyUJDIACSLOKTPQI-UHFFFAOYSA-N
XLogP6.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.47
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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dicyclohexylphosphane;gold
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CID 88829584
CID 88829584
3-cyclopentylpentan-3-ylcyclohexane
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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-(1,1-dicyclohexyl-2-phosphanylethyl)phosphane?
The IUPAC name of cyclohexyl-(1,1-dicyclohexyl-2-phosphanylethyl)phosphane (CID 174725587) is cyclohexyl-(1,1-dicyclohexyl-2-phosphanylethyl)phosphane.
What is the SMILES notation for cyclohexyl-(1,1-dicyclohexyl-2-phosphanylethyl)phosphane?
The canonical SMILES for cyclohexyl-(1,1-dicyclohexyl-2-phosphanylethyl)phosphane is PCC(PC1CCCCC1)(C1CCCCC1)C1CCCCC1.
What is the InChIKey of cyclohexyl-(1,1-dicyclohexyl-2-phosphanylethyl)phosphane?
The InChIKey is UJDIACSLOKTPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38P2/c21-16-20(17-10-4-1-5-11-17,18-12-6-2-7-13-18)22-19-14-8-3-9-15-19/h17-19,22H,1-16,21H2.
What are the key properties of cyclohexyl-(1,1-dicyclohexyl-2-phosphanylethyl)phosphane?
cyclohexyl-(1,1-dicyclohexyl-2-phosphanylethyl)phosphane has a molecular weight of 340.47 g/mol, XLogP of 6.77, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-(1,1-dicyclohexyl-2-phosphanylethyl)phosphane is sourced from PubChem (CID 174725587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).