ethyl acetate;hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium

C4H10O7P2+2 — CID 158835413

IUPACethyl acetate;hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium
SMILESCCOC(C)=O.O=[P+](O)O[P+](=O)O
InChIInChI=1S/C4H8O2.O5P2/c1-3-6-4(2)5;1-6(2)5-7(3)4/h3H2,1-2H3;/p+2
InChIKeyWXFDJNABHJKWCE-UHFFFAOYSA-P
MW232.06 g/mol
LogP0.87
Rot. Bonds3

About ethyl acetate;hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium

ethyl acetate;hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium (PubChem CID 158835413) has the molecular formula C4H10O7P2+2 and a molecular weight of 232.06 g/mol. Its IUPAC name is ethyl acetate;hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium.

Molecular Properties

Compound Nameethyl acetate;hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium
PubChem CID158835413
Molecular FormulaC4H10O7P2+2
Molecular Weight232.06 g/mol
Exact Mass231.99
IUPAC Nameethyl acetate;hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium
SMILESCCOC(C)=O.O=[P+](O)O[P+](=O)O
InChIInChI=1S/C4H8O2.O5P2/c1-3-6-4(2)5;1-6(2)5-7(3)4/h3H2,1-2H3;/p+2
InChIKeyWXFDJNABHJKWCE-UHFFFAOYSA-P
XLogP0.87
TPSA110.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.06
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl acetate;methanol
CID 173029748
ethyl acetate;methanol
CID 173278723
ethyl acetate;dihydrochloride
CID 21477582
ethyl acetate;octacontahydrate
CID 173077486
ethyl acetate;pentacontahydrate
CID 173010597
ethyl acetate;λ2-plumbane
CID 173068495
ethyl acetate;hydroiodide
CID 159926796
ethyl acetate;trihydrochloride
CID 141039771
ethyl acetate;pentahydrate
CID 173286699
ethyl acetate;octacontahydrate
CID 173010859
ethyl acetate;heptahydrate
CID 173010679
CID 157409555
CID 157409555

Frequently Asked Questions

What is the IUPAC name of ethyl acetate;hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium?
The IUPAC name of ethyl acetate;hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium (CID 158835413) is ethyl acetate;hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium.
What is the SMILES notation for ethyl acetate;hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium?
The canonical SMILES for ethyl acetate;hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium is CCOC(C)=O.O=[P+](O)O[P+](=O)O.
What is the InChIKey of ethyl acetate;hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium?
The InChIKey is WXFDJNABHJKWCE-UHFFFAOYSA-P. The full InChI is InChI=1S/C4H8O2.O5P2/c1-3-6-4(2)5;1-6(2)5-7(3)4/h3H2,1-2H3;/p+2.
What are the key properties of ethyl acetate;hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium?
ethyl acetate;hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium has a molecular weight of 232.06 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl acetate;hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium is sourced from PubChem (CID 158835413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).