zinc;chloromethane;oxido-oxo-phosphooxyphosphanium

CH3ClO5P2Zn+2 — CID 88678846

IUPACzinc;chloromethane;oxido-oxo-phosphooxyphosphanium
SMILESCCl.O=[P+]([O-])O[P+](=O)[O-].[Zn+2]
InChIInChI=1S/CH3Cl.O5P2.Zn/c1-2;1-6(2)5-7(3)4;/h1H3;;/q;;+2
InChIKeyXEXSOIAIDVAQCV-UHFFFAOYSA-N
MW257.82 g/mol
LogP-0.11
Rot. Bonds2

About zinc;chloromethane;oxido-oxo-phosphooxyphosphanium

zinc;chloromethane;oxido-oxo-phosphooxyphosphanium (PubChem CID 88678846) has the molecular formula CH3ClO5P2Zn+2 and a molecular weight of 257.82 g/mol. Its IUPAC name is zinc;chloromethane;oxido-oxo-phosphooxyphosphanium.

Molecular Properties

Compound Namezinc;chloromethane;oxido-oxo-phosphooxyphosphanium
PubChem CID88678846
Molecular FormulaCH3ClO5P2Zn+2
Molecular Weight257.82 g/mol
Exact Mass255.84
IUPAC Namezinc;chloromethane;oxido-oxo-phosphooxyphosphanium
SMILESCCl.O=[P+]([O-])O[P+](=O)[O-].[Zn+2]
InChIInChI=1S/CH3Cl.O5P2.Zn/c1-2;1-6(2)5-7(3)4;/h1H3;;/q;;+2
InChIKeyXEXSOIAIDVAQCV-UHFFFAOYSA-N
XLogP-0.11
TPSA89.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.82
LogP ≤ 5-0.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of zinc;chloromethane;oxido-oxo-phosphooxyphosphanium?
The IUPAC name of zinc;chloromethane;oxido-oxo-phosphooxyphosphanium (CID 88678846) is zinc;chloromethane;oxido-oxo-phosphooxyphosphanium.
What is the SMILES notation for zinc;chloromethane;oxido-oxo-phosphooxyphosphanium?
The canonical SMILES for zinc;chloromethane;oxido-oxo-phosphooxyphosphanium is CCl.O=[P+]([O-])O[P+](=O)[O-].[Zn+2].
What is the InChIKey of zinc;chloromethane;oxido-oxo-phosphooxyphosphanium?
The InChIKey is XEXSOIAIDVAQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3Cl.O5P2.Zn/c1-2;1-6(2)5-7(3)4;/h1H3;;/q;;+2.
What are the key properties of zinc;chloromethane;oxido-oxo-phosphooxyphosphanium?
zinc;chloromethane;oxido-oxo-phosphooxyphosphanium has a molecular weight of 257.82 g/mol, XLogP of -0.11, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;chloromethane;oxido-oxo-phosphooxyphosphanium is sourced from PubChem (CID 88678846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).