hydroxy-oxo-propylphosphanium;zinc

C3H8O2PZn+ — CID 87094262

IUPAChydroxy-oxo-propylphosphanium;zinc
SMILESCCC[P+](=O)O.[Zn]
InChIInChI=1S/C3H7O2P.Zn/c1-2-3-6(4)5;/h2-3H2,1H3;/p+1
InChIKeyUYVDCOKIIAWVEO-UHFFFAOYSA-O
MW172.46 g/mol
LogP1.13
Rot. Bonds2

About hydroxy-oxo-propylphosphanium;zinc

hydroxy-oxo-propylphosphanium;zinc (PubChem CID 87094262) has the molecular formula C3H8O2PZn+ and a molecular weight of 172.46 g/mol. Its IUPAC name is hydroxy-oxo-propylphosphanium;zinc.

Molecular Properties

Compound Namehydroxy-oxo-propylphosphanium;zinc
PubChem CID87094262
Molecular FormulaC3H8O2PZn+
Molecular Weight172.46 g/mol
Exact Mass170.95
IUPAC Namehydroxy-oxo-propylphosphanium;zinc
SMILESCCC[P+](=O)O.[Zn]
InChIInChI=1S/C3H7O2P.Zn/c1-2-3-6(4)5;/h2-3H2,1H3;/p+1
InChIKeyUYVDCOKIIAWVEO-UHFFFAOYSA-O
XLogP1.13
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.46
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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 hydroxy-oxo-propylphosphanium;zinc?
The IUPAC name of hydroxy-oxo-propylphosphanium;zinc (CID 87094262) is hydroxy-oxo-propylphosphanium;zinc.
What is the SMILES notation for hydroxy-oxo-propylphosphanium;zinc?
The canonical SMILES for hydroxy-oxo-propylphosphanium;zinc is CCC[P+](=O)O.[Zn].
What is the InChIKey of hydroxy-oxo-propylphosphanium;zinc?
The InChIKey is UYVDCOKIIAWVEO-UHFFFAOYSA-O. The full InChI is InChI=1S/C3H7O2P.Zn/c1-2-3-6(4)5;/h2-3H2,1H3;/p+1.
What are the key properties of hydroxy-oxo-propylphosphanium;zinc?
hydroxy-oxo-propylphosphanium;zinc has a molecular weight of 172.46 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-oxo-propylphosphanium;zinc is sourced from PubChem (CID 87094262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).