Dimethyl(phenyl)phosphane;platinum(2+);prop-1-yne;chloride;hydrochloride

C₁₁H₁₅Cl₂PPt — CID 138401813

About Dimethyl(phenyl)phosphane;platinum(2+);prop-1-yne;chloride;hydrochloride

Dimethyl(phenyl)phosphane;platinum(2+);prop-1-yne;chloride;hydrochloride (PubChem CID 138401813) has the molecular formula C₁₁H₁₅Cl₂PPt and a molecular weight of 444.20 g/mol. Its IUPAC name is dimethyl(phenyl)phosphane;platinum(2+);prop-1-yne;chloride;hydrochloride.

Molecular Properties

• Compound Name: Dimethyl(phenyl)phosphane;platinum(2+);prop-1-yne;chloride;hydrochloride
• PubChem CID: 138401813
• Molecular Formula: C₁₁H₁₅Cl₂PPt
• Molecular Weight: 444.20 g/mol
• Exact Mass: 442.99
• IUPAC Name: dimethyl(phenyl)phosphane;platinum(2+);prop-1-yne;chloride;hydrochloride
• SMILES: C#C[CH2-].CP(C)c1ccccc1.Cl.[Cl-].[Pt+2]
• InChI: InChI=1S/C8H11P.C3H3.2ClH.Pt/c1-9(2)8-6-4-3-5-7-8;1-3-2;;;/h3-7H,1-2H3;1H,2H2;2*1H;/q;-1;;;+2/p-1
• InChIKey: QMNCWZZHCKWBIT-UHFFFAOYSA-M
• XLogP: -0.07
• TPSA: 0.00 Ų
• Rotatable Bonds: 1
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.20
LogP ≤ 5	-0.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Dimethyl(phenyl)phosphane;platinum(2+);prop-1-yne;chloride;hydrochloride?

The IUPAC name of Dimethyl(phenyl)phosphane;platinum(2+);prop-1-yne;chloride;hydrochloride (CID 138401813) is dimethyl(phenyl)phosphane;platinum(2+);prop-1-yne;chloride;hydrochloride.

What is the SMILES notation for Dimethyl(phenyl)phosphane;platinum(2+);prop-1-yne;chloride;hydrochloride?

The canonical SMILES for Dimethyl(phenyl)phosphane;platinum(2+);prop-1-yne;chloride;hydrochloride is C#C[CH2-].CP(C)c1ccccc1.Cl.[Cl-].[Pt+2].

What is the InChIKey of Dimethyl(phenyl)phosphane;platinum(2+);prop-1-yne;chloride;hydrochloride?

The InChIKey is QMNCWZZHCKWBIT-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H11P.C3H3.2ClH.Pt/c1-9(2)8-6-4-3-5-7-8;1-3-2;;;/h3-7H,1-2H3;1H,2H2;2*1H;/q;-1;;;+2/p-1.

What are the key properties of Dimethyl(phenyl)phosphane;platinum(2+);prop-1-yne;chloride;hydrochloride?

Dimethyl(phenyl)phosphane;platinum(2+);prop-1-yne;chloride;hydrochloride has a molecular weight of 444.20 g/mol, XLogP of -0.07, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for Dimethyl(phenyl)phosphane;platinum(2+);prop-1-yne;chloride;hydrochloride is sourced from PubChem (CID 138401813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 138401813 — identifiers, structure, computed properties (public domain)

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