calcium;ethane-1,2-diol;hydride

C2H8CaO2 — CID 173241210

IUPACcalcium;ethane-1,2-diol;hydride
SMILESOCCO.[Ca+2].[H-].[H-]
InChIInChI=1S/C2H6O2.Ca.2H/c3-1-2-4;;;/h3-4H,1-2H2;;;/q;+2;2*-1
InChIKeyGFKRCUNFHXIUNG-UHFFFAOYSA-N
MW104.16 g/mol
LogP-1.18
Rot. Bonds1

About calcium;ethane-1,2-diol;hydride

calcium;ethane-1,2-diol;hydride (PubChem CID 173241210) has the molecular formula C2H8CaO2 and a molecular weight of 104.16 g/mol. Its IUPAC name is calcium;ethane-1,2-diol;hydride.

Molecular Properties

Compound Namecalcium;ethane-1,2-diol;hydride
PubChem CID173241210
Molecular FormulaC2H8CaO2
Molecular Weight104.16 g/mol
Exact Mass104.02
IUPAC Namecalcium;ethane-1,2-diol;hydride
SMILESOCCO.[Ca+2].[H-].[H-]
InChIInChI=1S/C2H6O2.Ca.2H/c3-1-2-4;;;/h3-4H,1-2H2;;;/q;+2;2*-1
InChIKeyGFKRCUNFHXIUNG-UHFFFAOYSA-N
XLogP-1.18
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.16
LogP ≤ 5-1.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of calcium;ethane-1,2-diol;hydride?
The IUPAC name of calcium;ethane-1,2-diol;hydride (CID 173241210) is calcium;ethane-1,2-diol;hydride.
What is the SMILES notation for calcium;ethane-1,2-diol;hydride?
The canonical SMILES for calcium;ethane-1,2-diol;hydride is OCCO.[Ca+2].[H-].[H-].
What is the InChIKey of calcium;ethane-1,2-diol;hydride?
The InChIKey is GFKRCUNFHXIUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O2.Ca.2H/c3-1-2-4;;;/h3-4H,1-2H2;;;/q;+2;2*-1.
What are the key properties of calcium;ethane-1,2-diol;hydride?
calcium;ethane-1,2-diol;hydride has a molecular weight of 104.16 g/mol, XLogP of -1.18, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;ethane-1,2-diol;hydride is sourced from PubChem (CID 173241210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).