calcium;ethyl-hydroxy-oxophosphanium;hydride

C2H8CaO2P+ — CID 174736026

IUPACcalcium;ethyl-hydroxy-oxophosphanium;hydride
SMILESCC[P+](=O)O.[Ca+2].[H-].[H-]
InChIInChI=1S/C2H5O2P.Ca.2H/c1-2-5(3)4;;;/h2H2,1H3;;;/q;+2;2*-1/p+1
InChIKeyJLZLXLPNOPKIFX-UHFFFAOYSA-O
MW135.14 g/mol
LogP0.59
Rot. Bonds1

About calcium;ethyl-hydroxy-oxophosphanium;hydride

calcium;ethyl-hydroxy-oxophosphanium;hydride (PubChem CID 174736026) has the molecular formula C2H8CaO2P+ and a molecular weight of 135.14 g/mol. Its IUPAC name is calcium;ethyl-hydroxy-oxophosphanium;hydride.

Molecular Properties

Compound Namecalcium;ethyl-hydroxy-oxophosphanium;hydride
PubChem CID174736026
Molecular FormulaC2H8CaO2P+
Molecular Weight135.14 g/mol
Exact Mass134.99
IUPAC Namecalcium;ethyl-hydroxy-oxophosphanium;hydride
SMILESCC[P+](=O)O.[Ca+2].[H-].[H-]
InChIInChI=1S/C2H5O2P.Ca.2H/c1-2-5(3)4;;;/h2H2,1H3;;;/q;+2;2*-1/p+1
InChIKeyJLZLXLPNOPKIFX-UHFFFAOYSA-O
XLogP0.59
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.14
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze calcium;ethyl-hydroxy-oxophosphanium;hydride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl-hydroxy-oxophosphanium;dihydrochloride
CID 88745268
disodium;ethyl-hydroxy-oxophosphanium;hydride;phosphorous acid
CID 175581483
tris(dihydroxy(oxo)phosphanium);propane
CID 159543377
hydroxy-oxo-propylphosphanium;zinc
CID 87094262
aluminum tris(ethyl-oxido-oxophosphanium)
CID 157497203
heptadecasodium;(dihydroxy(oxo)phosphanium);ethoxyethane;hydride
CID 173371191
phosphenous acid;propane
CID 19090860
dihydroxy(oxo)phosphanium;bis(octadecane)
CID 87485521
dihydroxy(oxo)phosphanium;2-methylbutane
CID 87211582
dihydroxy(oxo)phosphanium;tetraethylazanium
CID 175533770
dihydroxy(oxo)phosphanium;dodecane
CID 18620358
ethylaluminum(2+);phosphenic acid
CID 158590735

Frequently Asked Questions

What is the IUPAC name of calcium;ethyl-hydroxy-oxophosphanium;hydride?
The IUPAC name of calcium;ethyl-hydroxy-oxophosphanium;hydride (CID 174736026) is calcium;ethyl-hydroxy-oxophosphanium;hydride.
What is the SMILES notation for calcium;ethyl-hydroxy-oxophosphanium;hydride?
The canonical SMILES for calcium;ethyl-hydroxy-oxophosphanium;hydride is CC[P+](=O)O.[Ca+2].[H-].[H-].
What is the InChIKey of calcium;ethyl-hydroxy-oxophosphanium;hydride?
The InChIKey is JLZLXLPNOPKIFX-UHFFFAOYSA-O. The full InChI is InChI=1S/C2H5O2P.Ca.2H/c1-2-5(3)4;;;/h2H2,1H3;;;/q;+2;2*-1/p+1.
What are the key properties of calcium;ethyl-hydroxy-oxophosphanium;hydride?
calcium;ethyl-hydroxy-oxophosphanium;hydride has a molecular weight of 135.14 g/mol, XLogP of 0.59, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;ethyl-hydroxy-oxophosphanium;hydride is sourced from PubChem (CID 174736026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).