calcium;ethanolate;chloride;hexahydrate

C2H17CaClO7 — CID 141411480

IUPACcalcium;ethanolate;chloride;hexahydrate
SMILESCC[O-].O.O.O.O.O.O.[Ca+2].[Cl-]
InChIInChI=1S/C2H5O.Ca.ClH.6H2O/c1-2-3;;;;;;;;/h2H2,1H3;;1H;6*1H2/q-1;+2;;;;;;;/p-1
InChIKeyYIONYAOLGAANML-UHFFFAOYSA-M
MW228.68 g/mol
LogP-8.96
Rot. Bonds

About calcium;ethanolate;chloride;hexahydrate

calcium;ethanolate;chloride;hexahydrate (PubChem CID 141411480) has the molecular formula C2H17CaClO7 and a molecular weight of 228.68 g/mol. Its IUPAC name is calcium;ethanolate;chloride;hexahydrate.

Molecular Properties

Compound Namecalcium;ethanolate;chloride;hexahydrate
PubChem CID141411480
Molecular FormulaC2H17CaClO7
Molecular Weight228.68 g/mol
Exact Mass228.03
IUPAC Namecalcium;ethanolate;chloride;hexahydrate
SMILESCC[O-].O.O.O.O.O.O.[Ca+2].[Cl-]
InChIInChI=1S/C2H5O.Ca.ClH.6H2O/c1-2-3;;;;;;;;/h2H2,1H3;;1H;6*1H2/q-1;+2;;;;;;;/p-1
InChIKeyYIONYAOLGAANML-UHFFFAOYSA-M
XLogP-8.96
TPSA212.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 5-8.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze calcium;ethanolate;chloride;hexahydrate 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

triazanium;ethanolate;chloride
CID 141132734
heptamagnesium;ethanolate;dichloride
CID 173366879
aluminum;ethanolate;dichloride
CID 174314145
ethanolate;vanadium;hydrate
CID 101290219
pentamagnesium;ethanolate;titanium;octachloride
CID 173419554
ethanolate;vanadium(4+);chloride;hydroxide
CID 102059905
ethanolate;vanadium(2+)
CID 160956004
potassium ethanolate
CID 23670592
ethanolate;niobium
CID 18534493
erbium(3+);ethanolate
CID 14029842
CID 159434150
CID 159434150
calcium;ethanolate;propan-1-olate
CID 156783227

Frequently Asked Questions

What is the IUPAC name of calcium;ethanolate;chloride;hexahydrate?
The IUPAC name of calcium;ethanolate;chloride;hexahydrate (CID 141411480) is calcium;ethanolate;chloride;hexahydrate.
What is the SMILES notation for calcium;ethanolate;chloride;hexahydrate?
The canonical SMILES for calcium;ethanolate;chloride;hexahydrate is CC[O-].O.O.O.O.O.O.[Ca+2].[Cl-].
What is the InChIKey of calcium;ethanolate;chloride;hexahydrate?
The InChIKey is YIONYAOLGAANML-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H5O.Ca.ClH.6H2O/c1-2-3;;;;;;;;/h2H2,1H3;;1H;6*1H2/q-1;+2;;;;;;;/p-1.
What are the key properties of calcium;ethanolate;chloride;hexahydrate?
calcium;ethanolate;chloride;hexahydrate has a molecular weight of 228.68 g/mol, XLogP of -8.96, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;ethanolate;chloride;hexahydrate is sourced from PubChem (CID 141411480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).