magnesium;butan-1-olate;hydrogen carbonate

C5H10MgO4 — CID 159486437

IUPACmagnesium;butan-1-olate;hydrogen carbonate
SMILESCCCC[O-].O=C([O-])O.[Mg+2]
InChIInChI=1S/C4H9O.CH2O3.Mg/c1-2-3-4-5;2-1(3)4;/h2-4H2,1H3;(H2,2,3,4);/q-1;;+2/p-1
InChIKeyMJGSITZVKYWTSN-UHFFFAOYSA-M
MW158.44 g/mol
LogP-1.35
Rot. Bonds2

About magnesium;butan-1-olate;hydrogen carbonate

magnesium;butan-1-olate;hydrogen carbonate (PubChem CID 159486437) has the molecular formula C5H10MgO4 and a molecular weight of 158.44 g/mol. Its IUPAC name is magnesium;butan-1-olate;hydrogen carbonate.

Molecular Properties

Compound Namemagnesium;butan-1-olate;hydrogen carbonate
PubChem CID159486437
Molecular FormulaC5H10MgO4
Molecular Weight158.44 g/mol
Exact Mass158.04
IUPAC Namemagnesium;butan-1-olate;hydrogen carbonate
SMILESCCCC[O-].O=C([O-])O.[Mg+2]
InChIInChI=1S/C4H9O.CH2O3.Mg/c1-2-3-4-5;2-1(3)4;/h2-4H2,1H3;(H2,2,3,4);/q-1;;+2/p-1
InChIKeyMJGSITZVKYWTSN-UHFFFAOYSA-M
XLogP-1.35
TPSA83.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.44
LogP ≤ 5-1.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tris(butan-1-olate);tin(4+);acetate
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tetrakis(butan-1-olate);propan-2-one;zirconium(4+)
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bis(butan-1-olate);hafnium;bis(propan-2-one)
CID 159892483
tetrakis(butan-1-olate);germanium(4+)
CID 91868535
tetrakis(butan-1-olate);vanadium(4+)
CID 14438320
tetrakis(butan-1-olate);hafnium(4+)
CID 10140113
CID 22242269
CID 22242269
tris(butan-1-olate);niobium(3+)
CID 161059025
trilithium;tris(butan-1-olate)
CID 155673085
tris(butan-1-olate);yttrium(3+)
CID 11536856
magnesium;butan-1-olate;octan-1-olate
CID 24942472
bis(butan-1-olate);bis(3-oxopentanoate);titanium(4+)
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Frequently Asked Questions

What is the IUPAC name of magnesium;butan-1-olate;hydrogen carbonate?
The IUPAC name of magnesium;butan-1-olate;hydrogen carbonate (CID 159486437) is magnesium;butan-1-olate;hydrogen carbonate.
What is the SMILES notation for magnesium;butan-1-olate;hydrogen carbonate?
The canonical SMILES for magnesium;butan-1-olate;hydrogen carbonate is CCCC[O-].O=C([O-])O.[Mg+2].
What is the InChIKey of magnesium;butan-1-olate;hydrogen carbonate?
The InChIKey is MJGSITZVKYWTSN-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H9O.CH2O3.Mg/c1-2-3-4-5;2-1(3)4;/h2-4H2,1H3;(H2,2,3,4);/q-1;;+2/p-1.
What are the key properties of magnesium;butan-1-olate;hydrogen carbonate?
magnesium;butan-1-olate;hydrogen carbonate has a molecular weight of 158.44 g/mol, XLogP of -1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;butan-1-olate;hydrogen carbonate is sourced from PubChem (CID 159486437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).