calcium ethyl phosphite

C2H5CaO3P — CID 22914058

IUPACcalcium ethyl phosphite
SMILESCCOP([O-])[O-].[Ca+2]
InChIInChI=1S/C2H5O3P.Ca/c1-2-5-6(3)4;/h2H2,1H3;/q-2;+2
InChIKeyQKSIONKJWMWMAA-UHFFFAOYSA-N
MW148.11 g/mol
LogP-1.41
Rot. Bonds2

About calcium ethyl phosphite

calcium ethyl phosphite (PubChem CID 22914058) has the molecular formula C2H5CaO3P and a molecular weight of 148.11 g/mol. Its IUPAC name is calcium ethyl phosphite.

Molecular Properties

Compound Namecalcium ethyl phosphite
PubChem CID22914058
Molecular FormulaC2H5CaO3P
Molecular Weight148.11 g/mol
Exact Mass147.96
IUPAC Namecalcium ethyl phosphite
SMILESCCOP([O-])[O-].[Ca+2]
InChIInChI=1S/C2H5O3P.Ca/c1-2-5-6(3)4;/h2H2,1H3;/q-2;+2
InChIKeyQKSIONKJWMWMAA-UHFFFAOYSA-N
XLogP-1.41
TPSA55.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.11
LogP ≤ 5-1.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl phosphite;iron(2+)
CID 88797348
dialuminum;diethylphosphinic acid;ethyl phosphite
CID 175054083
3,3-dimethylbutyl phosphite
CID 21251795
disodium;hexyl phosphite
CID 139691830
azanium ethyl methoxy phosphite
CID 21332937
diethoxy(methyl)phosphane;phosphane
CID 174821155
diethyl hydrogen phosphite
CID 12977
bromocopper;triethyl phosphite
CID 12653173
ethyl dihydrogen phosphite;dihydrochloride
CID 88746637
phosphorous acid;triethyl phosphite
CID 174300225
diethyl hydrogen phosphite;mercury
CID 54602640
barium(2+);2-butoxyethyl phosphite
CID 88780891

Frequently Asked Questions

What is the IUPAC name of calcium ethyl phosphite?
The IUPAC name of calcium ethyl phosphite (CID 22914058) is calcium ethyl phosphite.
What is the SMILES notation for calcium ethyl phosphite?
The canonical SMILES for calcium ethyl phosphite is CCOP([O-])[O-].[Ca+2].
What is the InChIKey of calcium ethyl phosphite?
The InChIKey is QKSIONKJWMWMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5O3P.Ca/c1-2-5-6(3)4;/h2H2,1H3;/q-2;+2.
What are the key properties of calcium ethyl phosphite?
calcium ethyl phosphite has a molecular weight of 148.11 g/mol, XLogP of -1.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for calcium ethyl phosphite is sourced from PubChem (CID 22914058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).