bis(chloro-dimethanidyl-dimethyl-λ5-phosphane);gold

C8H20Au2Cl2P2-4 — CID 134890122

IUPACbis(chloro-dimethanidyl-dimethyl-λ5-phosphane);gold
SMILES[Au].[Au].[CH2-]P([CH2-])(C)(C)Cl.[CH2-]P([CH2-])(C)(C)Cl
InChIInChI=1S/2C4H10ClP.2Au/c2*1-6(2,3,4)5;;/h2*1-2H2,3-4H3;;/q2*-2;;
InChIKeyYPFHNBHQMXEWBI-UHFFFAOYSA-N
MW643.04 g/mol
LogP5.07
Rot. Bonds

About bis(chloro-dimethanidyl-dimethyl-λ5-phosphane);gold

bis(chloro-dimethanidyl-dimethyl-λ5-phosphane);gold (PubChem CID 134890122) has the molecular formula C8H20Au2Cl2P2-4 and a molecular weight of 643.04 g/mol. Its IUPAC name is bis(chloro-dimethanidyl-dimethyl-λ5-phosphane);gold.

Molecular Properties

Compound Namebis(chloro-dimethanidyl-dimethyl-λ5-phosphane);gold
PubChem CID134890122
Molecular FormulaC8H20Au2Cl2P2-4
Molecular Weight643.04 g/mol
Exact Mass641.98
IUPAC Namebis(chloro-dimethanidyl-dimethyl-λ5-phosphane);gold
SMILES[Au].[Au].[CH2-]P([CH2-])(C)(C)Cl.[CH2-]P([CH2-])(C)(C)Cl
InChIInChI=1S/2C4H10ClP.2Au/c2*1-6(2,3,4)5;;/h2*1-2H2,3-4H3;;/q2*-2;;
InChIKeyYPFHNBHQMXEWBI-UHFFFAOYSA-N
XLogP5.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500643.04
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(chloro-dimethanidyl-dimethyl-λ5-phosphane);gold?
The IUPAC name of bis(chloro-dimethanidyl-dimethyl-λ5-phosphane);gold (CID 134890122) is bis(chloro-dimethanidyl-dimethyl-λ5-phosphane);gold.
What is the SMILES notation for bis(chloro-dimethanidyl-dimethyl-λ5-phosphane);gold?
The canonical SMILES for bis(chloro-dimethanidyl-dimethyl-λ5-phosphane);gold is [Au].[Au].[CH2-]P([CH2-])(C)(C)Cl.[CH2-]P([CH2-])(C)(C)Cl.
What is the InChIKey of bis(chloro-dimethanidyl-dimethyl-λ5-phosphane);gold?
The InChIKey is YPFHNBHQMXEWBI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H10ClP.2Au/c2*1-6(2,3,4)5;;/h2*1-2H2,3-4H3;;/q2*-2;;.
What are the key properties of bis(chloro-dimethanidyl-dimethyl-λ5-phosphane);gold?
bis(chloro-dimethanidyl-dimethyl-λ5-phosphane);gold has a molecular weight of 643.04 g/mol, XLogP of 5.07, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(chloro-dimethanidyl-dimethyl-λ5-phosphane);gold is sourced from PubChem (CID 134890122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).