dicalcium;dimagnesium;carbonic acid;hydride

C2H12Ca2Mg2O6 — CID 174770084

IUPACdicalcium;dimagnesium;carbonic acid;hydride
SMILESO=C(O)O.O=C(O)O.[Ca+2].[Ca+2].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[Mg+2].[Mg+2]
InChIInChI=1S/2CH2O3.2Ca.2Mg.8H/c2*2-1(3)4;;;;;;;;;;;;/h2*(H2,2,3,4);;;;;;;;;;;;/q;;4*+2;8*-1
InChIKeySIDNKIAADSMJBS-UHFFFAOYSA-N
MW260.88 g/mol
LogP-0.18
Rot. Bonds

About dicalcium;dimagnesium;carbonic acid;hydride

dicalcium;dimagnesium;carbonic acid;hydride (PubChem CID 174770084) has the molecular formula C2H12Ca2Mg2O6 and a molecular weight of 260.88 g/mol. Its IUPAC name is dicalcium;dimagnesium;carbonic acid;hydride.

Molecular Properties

Compound Namedicalcium;dimagnesium;carbonic acid;hydride
PubChem CID174770084
Molecular FormulaC2H12Ca2Mg2O6
Molecular Weight260.88 g/mol
Exact Mass259.96
IUPAC Namedicalcium;dimagnesium;carbonic acid;hydride
SMILESO=C(O)O.O=C(O)O.[Ca+2].[Ca+2].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[Mg+2].[Mg+2]
InChIInChI=1S/2CH2O3.2Ca.2Mg.8H/c2*2-1(3)4;;;;;;;;;;;;/h2*(H2,2,3,4);;;;;;;;;;;;/q;;4*+2;8*-1
InChIKeySIDNKIAADSMJBS-UHFFFAOYSA-N
XLogP-0.18
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.88
LogP ≤ 5-0.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 175056426
trimagnesium;carbonic acid;hydride
CID 173236021
magnesium;carbonic acid;hydride
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tricalcium;carbonic acid;hydride
CID 173419808
calcium;magnesium;carbonic acid;oxygen(2-)
CID 173036829
calcium;carbonic acid;hydride;dihydrochloride
CID 174815432
magnesium;potassium;carbonic acid;hydride
CID 173403726
hexamagnesium;alumane;carbonic acid;hydride
CID 173485627
magnesium;alumane;carbonic acid;hydride
CID 172997096
magnesium;carbonic acid;hydride;trihydrate
CID 173024872
calcium;carbonic acid;hydride;phosphane
CID 174337787
dicalcium;carbonic acid;hydride;methane
CID 173330870

Frequently Asked Questions

What is the IUPAC name of dicalcium;dimagnesium;carbonic acid;hydride?
The IUPAC name of dicalcium;dimagnesium;carbonic acid;hydride (CID 174770084) is dicalcium;dimagnesium;carbonic acid;hydride.
What is the SMILES notation for dicalcium;dimagnesium;carbonic acid;hydride?
The canonical SMILES for dicalcium;dimagnesium;carbonic acid;hydride is O=C(O)O.O=C(O)O.[Ca+2].[Ca+2].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[Mg+2].[Mg+2].
What is the InChIKey of dicalcium;dimagnesium;carbonic acid;hydride?
The InChIKey is SIDNKIAADSMJBS-UHFFFAOYSA-N. The full InChI is InChI=1S/2CH2O3.2Ca.2Mg.8H/c2*2-1(3)4;;;;;;;;;;;;/h2*(H2,2,3,4);;;;;;;;;;;;/q;;4*+2;8*-1.
What are the key properties of dicalcium;dimagnesium;carbonic acid;hydride?
dicalcium;dimagnesium;carbonic acid;hydride has a molecular weight of 260.88 g/mol, XLogP of -0.18, 0 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dicalcium;dimagnesium;carbonic acid;hydride is sourced from PubChem (CID 174770084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).