dicyclohexyl-(1-cyclopenta-2,4-dien-1-yl-2-dicyclohexylphosphanylethyl)phosphane

C31H52P2 — CID 87987244

IUPACdicyclohexyl-(1-cyclopenta-2,4-dien-1-yl-2-dicyclohexylphosphanylethyl)phosphane
SMILESC1=CC(C(CP(C2CCCCC2)C2CCCCC2)P(C2CCCCC2)C2CCCCC2)C=C1
InChIInChI=1S/C31H52P2/c1-5-17-27(18-6-1)32(28-19-7-2-8-20-28)25-31(26-15-13-14-16-26)33(29-21-9-3-10-22-29)30-23-11-4-12-24-30/h13-16,26-31H,1-12,17-25H2
InChIKeyWLYUKJROKJROAB-UHFFFAOYSA-N
MW486.71 g/mol
LogP10.39
Rot. Bonds8

About dicyclohexyl-(1-cyclopenta-2,4-dien-1-yl-2-dicyclohexylphosphanylethyl)phosphane

dicyclohexyl-(1-cyclopenta-2,4-dien-1-yl-2-dicyclohexylphosphanylethyl)phosphane (PubChem CID 87987244) has the molecular formula C31H52P2 and a molecular weight of 486.71 g/mol. Its IUPAC name is dicyclohexyl-(1-cyclopenta-2,4-dien-1-yl-2-dicyclohexylphosphanylethyl)phosphane.

Molecular Properties

Compound Namedicyclohexyl-(1-cyclopenta-2,4-dien-1-yl-2-dicyclohexylphosphanylethyl)phosphane
PubChem CID87987244
Molecular FormulaC31H52P2
Molecular Weight486.71 g/mol
Exact Mass486.35
IUPAC Namedicyclohexyl-(1-cyclopenta-2,4-dien-1-yl-2-dicyclohexylphosphanylethyl)phosphane
SMILESC1=CC(C(CP(C2CCCCC2)C2CCCCC2)P(C2CCCCC2)C2CCCCC2)C=C1
InChIInChI=1S/C31H52P2/c1-5-17-27(18-6-1)32(28-19-7-2-8-20-28)25-31(26-15-13-14-16-26)33(29-21-9-3-10-22-29)30-23-11-4-12-24-30/h13-16,26-31H,1-12,17-25H2
InChIKeyWLYUKJROKJROAB-UHFFFAOYSA-N
XLogP10.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.71
LogP ≤ 510.39
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 dicyclohexyl-(1-cyclopenta-2,4-dien-1-yl-2-dicyclohexylphosphanylethyl)phosphane?
The IUPAC name of dicyclohexyl-(1-cyclopenta-2,4-dien-1-yl-2-dicyclohexylphosphanylethyl)phosphane (CID 87987244) is dicyclohexyl-(1-cyclopenta-2,4-dien-1-yl-2-dicyclohexylphosphanylethyl)phosphane.
What is the SMILES notation for dicyclohexyl-(1-cyclopenta-2,4-dien-1-yl-2-dicyclohexylphosphanylethyl)phosphane?
The canonical SMILES for dicyclohexyl-(1-cyclopenta-2,4-dien-1-yl-2-dicyclohexylphosphanylethyl)phosphane is C1=CC(C(CP(C2CCCCC2)C2CCCCC2)P(C2CCCCC2)C2CCCCC2)C=C1.
What is the InChIKey of dicyclohexyl-(1-cyclopenta-2,4-dien-1-yl-2-dicyclohexylphosphanylethyl)phosphane?
The InChIKey is WLYUKJROKJROAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H52P2/c1-5-17-27(18-6-1)32(28-19-7-2-8-20-28)25-31(26-15-13-14-16-26)33(29-21-9-3-10-22-29)30-23-11-4-12-24-30/h13-16,26-31H,1-12,17-25H2.
What are the key properties of dicyclohexyl-(1-cyclopenta-2,4-dien-1-yl-2-dicyclohexylphosphanylethyl)phosphane?
dicyclohexyl-(1-cyclopenta-2,4-dien-1-yl-2-dicyclohexylphosphanylethyl)phosphane has a molecular weight of 486.71 g/mol, XLogP of 10.39, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexyl-(1-cyclopenta-2,4-dien-1-yl-2-dicyclohexylphosphanylethyl)phosphane is sourced from PubChem (CID 87987244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).