calcium ethanolate

C4H10CaO2 — CID 6451473

IUPACcalcium ethanolate
SMILESCC[O-].CC[O-].[Ca+2]
InChIInChI=1S/2C2H5O.Ca/c2*1-2-3;/h2*2H2,1H3;/q2*-1;+2
InChIKeyJHLCADGWXYCDQA-UHFFFAOYSA-N
MW130.20 g/mol
LogP-1.65
Rot. Bonds

About calcium ethanolate

calcium ethanolate (PubChem CID 6451473) has the molecular formula C4H10CaO2 and a molecular weight of 130.20 g/mol. Its IUPAC name is calcium ethanolate.

Molecular Properties

Compound Namecalcium ethanolate
PubChem CID6451473
Molecular FormulaC4H10CaO2
Molecular Weight130.20 g/mol
Exact Mass130.03
IUPAC Namecalcium ethanolate
SMILESCC[O-].CC[O-].[Ca+2]
InChIInChI=1S/2C2H5O.Ca/c2*1-2-3;/h2*2H2,1H3;/q2*-1;+2
InChIKeyJHLCADGWXYCDQA-UHFFFAOYSA-N
XLogP-1.65
TPSA46.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.20
LogP ≤ 5-1.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of calcium ethanolate?
The IUPAC name of calcium ethanolate (CID 6451473) is calcium ethanolate.
What is the SMILES notation for calcium ethanolate?
The canonical SMILES for calcium ethanolate is CC[O-].CC[O-].[Ca+2].
What is the InChIKey of calcium ethanolate?
The InChIKey is JHLCADGWXYCDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2H5O.Ca/c2*1-2-3;/h2*2H2,1H3;/q2*-1;+2.
What are the key properties of calcium ethanolate?
calcium ethanolate has a molecular weight of 130.20 g/mol, XLogP of -1.65, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for calcium ethanolate is sourced from PubChem (CID 6451473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).