ethyl-hydroxy-oxophosphanium;dihydrochloride

C2H8Cl2O2P+ — CID 88745268

IUPACethyl-hydroxy-oxophosphanium;dihydrochloride
SMILESCC[P+](=O)O.Cl.Cl
InChIInChI=1S/C2H5O2P.2ClH/c1-2-5(3)4;;/h2H2,1H3;2*1H/p+1
InChIKeyFNZYUUHSUWYUQD-UHFFFAOYSA-O
MW165.96 g/mol
LogP1.58
Rot. Bonds1

About ethyl-hydroxy-oxophosphanium;dihydrochloride

ethyl-hydroxy-oxophosphanium;dihydrochloride (PubChem CID 88745268) has the molecular formula C2H8Cl2O2P+ and a molecular weight of 165.96 g/mol. Its IUPAC name is ethyl-hydroxy-oxophosphanium;dihydrochloride.

Molecular Properties

Compound Nameethyl-hydroxy-oxophosphanium;dihydrochloride
PubChem CID88745268
Molecular FormulaC2H8Cl2O2P+
Molecular Weight165.96 g/mol
Exact Mass164.96
IUPAC Nameethyl-hydroxy-oxophosphanium;dihydrochloride
SMILESCC[P+](=O)O.Cl.Cl
InChIInChI=1S/C2H5O2P.2ClH/c1-2-5(3)4;;/h2H2,1H3;2*1H/p+1
InChIKeyFNZYUUHSUWYUQD-UHFFFAOYSA-O
XLogP1.58
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.96
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl-hydroxy-oxophosphanium;dihydrochloride?
The IUPAC name of ethyl-hydroxy-oxophosphanium;dihydrochloride (CID 88745268) is ethyl-hydroxy-oxophosphanium;dihydrochloride.
What is the SMILES notation for ethyl-hydroxy-oxophosphanium;dihydrochloride?
The canonical SMILES for ethyl-hydroxy-oxophosphanium;dihydrochloride is CC[P+](=O)O.Cl.Cl.
What is the InChIKey of ethyl-hydroxy-oxophosphanium;dihydrochloride?
The InChIKey is FNZYUUHSUWYUQD-UHFFFAOYSA-O. The full InChI is InChI=1S/C2H5O2P.2ClH/c1-2-5(3)4;;/h2H2,1H3;2*1H/p+1.
What are the key properties of ethyl-hydroxy-oxophosphanium;dihydrochloride?
ethyl-hydroxy-oxophosphanium;dihydrochloride has a molecular weight of 165.96 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-hydroxy-oxophosphanium;dihydrochloride is sourced from PubChem (CID 88745268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).