Cyclohexa-1,5-dien-1-yl-cyclohexa-2,4-dien-1-yl-phenylphosphane

C₁₈H₁₉P — CID 123441058

About Cyclohexa-1,5-dien-1-yl-cyclohexa-2,4-dien-1-yl-phenylphosphane

Cyclohexa-1,5-dien-1-yl-cyclohexa-2,4-dien-1-yl-phenylphosphane (PubChem CID 123441058) has the molecular formula C₁₈H₁₉P and a molecular weight of 266.32 g/mol. Its IUPAC name is cyclohexa-1,5-dien-1-yl-cyclohexa-2,4-dien-1-yl-phenylphosphane.

Molecular Properties

• Compound Name: Cyclohexa-1,5-dien-1-yl-cyclohexa-2,4-dien-1-yl-phenylphosphane
• PubChem CID: 123441058
• Molecular Formula: C₁₈H₁₉P
• Molecular Weight: 266.32 g/mol
• Exact Mass: 266.12
• IUPAC Name: cyclohexa-1,5-dien-1-yl-cyclohexa-2,4-dien-1-yl-phenylphosphane
• SMILES: C1=CCC(P(C2=CCCC=C2)c2ccccc2)C=C1
• InChI: InChI=1S/C18H19P/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-2,4-8,10-12,14-15,17H,3,9,13H2
• InChIKey: YTXFCSVJHCEJAT-UHFFFAOYSA-N
• XLogP: 4.91
• TPSA: 0.00 Ų
• Rotatable Bonds: 3
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	266.32
LogP ≤ 5	4.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Cyclohexa-1,5-dien-1-yl-cyclohexa-2,4-dien-1-yl-phenylphosphane?

The IUPAC name of Cyclohexa-1,5-dien-1-yl-cyclohexa-2,4-dien-1-yl-phenylphosphane (CID 123441058) is cyclohexa-1,5-dien-1-yl-cyclohexa-2,4-dien-1-yl-phenylphosphane.

What is the SMILES notation for Cyclohexa-1,5-dien-1-yl-cyclohexa-2,4-dien-1-yl-phenylphosphane?

The canonical SMILES for Cyclohexa-1,5-dien-1-yl-cyclohexa-2,4-dien-1-yl-phenylphosphane is C1=CCC(P(C2=CCCC=C2)c2ccccc2)C=C1.

What is the InChIKey of Cyclohexa-1,5-dien-1-yl-cyclohexa-2,4-dien-1-yl-phenylphosphane?

The InChIKey is YTXFCSVJHCEJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19P/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-2,4-8,10-12,14-15,17H,3,9,13H2.

What are the key properties of Cyclohexa-1,5-dien-1-yl-cyclohexa-2,4-dien-1-yl-phenylphosphane?

Cyclohexa-1,5-dien-1-yl-cyclohexa-2,4-dien-1-yl-phenylphosphane has a molecular weight of 266.32 g/mol, XLogP of 4.91, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for Cyclohexa-1,5-dien-1-yl-cyclohexa-2,4-dien-1-yl-phenylphosphane is sourced from PubChem (CID 123441058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 123441058 — identifiers, structure, computed properties (public domain)

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