calcium;magnesium;hydride;methane;hydrate

CH10CaMgO — CID 174906667

IUPACcalcium;magnesium;hydride;methane;hydrate
SMILESC.O.[Ca+2].[H-].[H-].[H-].[H-].[Mg+2]
InChIInChI=1S/CH4.Ca.Mg.H2O.4H/h1H4;;;1H2;;;;/q;2*+2;;4*-1
InChIKeyJIGNNFZWUVSCRK-UHFFFAOYSA-N
MW102.47 g/mol
LogP-0.50
Rot. Bonds

About calcium;magnesium;hydride;methane;hydrate

calcium;magnesium;hydride;methane;hydrate (PubChem CID 174906667) has the molecular formula CH10CaMgO and a molecular weight of 102.47 g/mol. Its IUPAC name is calcium;magnesium;hydride;methane;hydrate.

Molecular Properties

Compound Namecalcium;magnesium;hydride;methane;hydrate
PubChem CID174906667
Molecular FormulaCH10CaMgO
Molecular Weight102.47 g/mol
Exact Mass102.02
IUPAC Namecalcium;magnesium;hydride;methane;hydrate
SMILESC.O.[Ca+2].[H-].[H-].[H-].[H-].[Mg+2]
InChIInChI=1S/CH4.Ca.Mg.H2O.4H/h1H4;;;1H2;;;;/q;2*+2;;4*-1
InChIKeyJIGNNFZWUVSCRK-UHFFFAOYSA-N
XLogP-0.50
TPSA31.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.47
LogP ≤ 5-0.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of calcium;magnesium;hydride;methane;hydrate?
The IUPAC name of calcium;magnesium;hydride;methane;hydrate (CID 174906667) is calcium;magnesium;hydride;methane;hydrate.
What is the SMILES notation for calcium;magnesium;hydride;methane;hydrate?
The canonical SMILES for calcium;magnesium;hydride;methane;hydrate is C.O.[Ca+2].[H-].[H-].[H-].[H-].[Mg+2].
What is the InChIKey of calcium;magnesium;hydride;methane;hydrate?
The InChIKey is JIGNNFZWUVSCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4.Ca.Mg.H2O.4H/h1H4;;;1H2;;;;/q;2*+2;;4*-1.
What are the key properties of calcium;magnesium;hydride;methane;hydrate?
calcium;magnesium;hydride;methane;hydrate has a molecular weight of 102.47 g/mol, XLogP of -0.50, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;magnesium;hydride;methane;hydrate is sourced from PubChem (CID 174906667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).