calcium;sodium;ethanolate;acetate;chloride

C4H8CaClNaO3 — CID 141328997

IUPACcalcium;sodium;ethanolate;acetate;chloride
SMILESCC(=O)[O-].CC[O-].[Ca+2].[Cl-].[Na+]
InChIInChI=1S/C2H4O2.C2H5O.Ca.ClH.Na/c1-2(3)4;1-2-3;;;/h1H3,(H,3,4);2H2,1H3;;1H;/q;-1;+2;;+1/p-2
InChIKeyIMZUZXXWXXLIID-UHFFFAOYSA-L
MW202.63 g/mol
LogP-8.25
Rot. Bonds

About calcium;sodium;ethanolate;acetate;chloride

calcium;sodium;ethanolate;acetate;chloride (PubChem CID 141328997) has the molecular formula C4H8CaClNaO3 and a molecular weight of 202.63 g/mol. Its IUPAC name is calcium;sodium;ethanolate;acetate;chloride.

Molecular Properties

Compound Namecalcium;sodium;ethanolate;acetate;chloride
PubChem CID141328997
Molecular FormulaC4H8CaClNaO3
Molecular Weight202.63 g/mol
Exact Mass201.97
IUPAC Namecalcium;sodium;ethanolate;acetate;chloride
SMILESCC(=O)[O-].CC[O-].[Ca+2].[Cl-].[Na+]
InChIInChI=1S/C2H4O2.C2H5O.Ca.ClH.Na/c1-2(3)4;1-2-3;;;/h1H3,(H,3,4);2H2,1H3;;1H;/q;-1;+2;;+1/p-2
InChIKeyIMZUZXXWXXLIID-UHFFFAOYSA-L
XLogP-8.25
TPSA63.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.63
LogP ≤ 5-8.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

dialuminum;ethanolate;triacetate
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trisodium;propanoate
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disodium;acetate;chloride;trihydrate
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aluminum;sodium;acetate;trichloride
CID 173360119
tricalcium;acetate;carbonate;chloride
CID 159671387
tricalcium diacetate
CID 19804487
nonasodium;nonaacetate
CID 173443222
calcium;propanoate;trihydrate
CID 158992418
antimony(3+);propanoate;diacetate
CID 23464193
bis(cobalt(2+));propanoate;diacetate
CID 173406713
sodium;acetate;trihydrate
CID 23665404
sodium;acetate;trihydrofluoride
CID 172761892

Frequently Asked Questions

What is the IUPAC name of calcium;sodium;ethanolate;acetate;chloride?
The IUPAC name of calcium;sodium;ethanolate;acetate;chloride (CID 141328997) is calcium;sodium;ethanolate;acetate;chloride.
What is the SMILES notation for calcium;sodium;ethanolate;acetate;chloride?
The canonical SMILES for calcium;sodium;ethanolate;acetate;chloride is CC(=O)[O-].CC[O-].[Ca+2].[Cl-].[Na+].
What is the InChIKey of calcium;sodium;ethanolate;acetate;chloride?
The InChIKey is IMZUZXXWXXLIID-UHFFFAOYSA-L. The full InChI is InChI=1S/C2H4O2.C2H5O.Ca.ClH.Na/c1-2(3)4;1-2-3;;;/h1H3,(H,3,4);2H2,1H3;;1H;/q;-1;+2;;+1/p-2.
What are the key properties of calcium;sodium;ethanolate;acetate;chloride?
calcium;sodium;ethanolate;acetate;chloride has a molecular weight of 202.63 g/mol, XLogP of -8.25, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;sodium;ethanolate;acetate;chloride is sourced from PubChem (CID 141328997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).