calcium;ethanolate;propan-1-olate

C5H12CaO2 — CID 156783227

IUPACcalcium;ethanolate;propan-1-olate
SMILESCCC[O-].CC[O-].[Ca+2]
InChIInChI=1S/C3H7O.C2H5O.Ca/c1-2-3-4;1-2-3;/h2-3H2,1H3;2H2,1H3;/q2*-1;+2
InChIKeyZLRVAWARGIOQEA-UHFFFAOYSA-N
MW144.23 g/mol
LogP-1.26
Rot. Bonds1

About calcium;ethanolate;propan-1-olate

calcium;ethanolate;propan-1-olate (PubChem CID 156783227) has the molecular formula C5H12CaO2 and a molecular weight of 144.23 g/mol. Its IUPAC name is calcium;ethanolate;propan-1-olate.

Molecular Properties

Compound Namecalcium;ethanolate;propan-1-olate
PubChem CID156783227
Molecular FormulaC5H12CaO2
Molecular Weight144.23 g/mol
Exact Mass144.05
IUPAC Namecalcium;ethanolate;propan-1-olate
SMILESCCC[O-].CC[O-].[Ca+2]
InChIInChI=1S/C3H7O.C2H5O.Ca/c1-2-3-4;1-2-3;/h2-3H2,1H3;2H2,1H3;/q2*-1;+2
InChIKeyZLRVAWARGIOQEA-UHFFFAOYSA-N
XLogP-1.26
TPSA46.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.23
LogP ≤ 5-1.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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hydride;propan-1-olate;zirconium(4+);chloride
CID 18688191
calcium;ethanolate;chloride;hexahydrate
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Frequently Asked Questions

What is the IUPAC name of calcium;ethanolate;propan-1-olate?
The IUPAC name of calcium;ethanolate;propan-1-olate (CID 156783227) is calcium;ethanolate;propan-1-olate.
What is the SMILES notation for calcium;ethanolate;propan-1-olate?
The canonical SMILES for calcium;ethanolate;propan-1-olate is CCC[O-].CC[O-].[Ca+2].
What is the InChIKey of calcium;ethanolate;propan-1-olate?
The InChIKey is ZLRVAWARGIOQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7O.C2H5O.Ca/c1-2-3-4;1-2-3;/h2-3H2,1H3;2H2,1H3;/q2*-1;+2.
What are the key properties of calcium;ethanolate;propan-1-olate?
calcium;ethanolate;propan-1-olate has a molecular weight of 144.23 g/mol, XLogP of -1.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;ethanolate;propan-1-olate is sourced from PubChem (CID 156783227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).