magnesium;bis(2-ethylbutanoic acid);hydride

C12H26MgO4 — CID 174895693

IUPACmagnesium;bis(2-ethylbutanoic acid);hydride
SMILESCCC(CC)C(=O)O.CCC(CC)C(=O)O.[H-].[H-].[Mg+2]
InChIInChI=1S/2C6H12O2.Mg.2H/c2*1-3-5(4-2)6(7)8;;;/h2*5H,3-4H2,1-2H3,(H,7,8);;;/q;;+2;2*-1
InChIKeyNGHTXGGQROZKQF-UHFFFAOYSA-N
MW258.64 g/mol
LogP2.86
Rot. Bonds6

About magnesium;bis(2-ethylbutanoic acid);hydride

magnesium;bis(2-ethylbutanoic acid);hydride (PubChem CID 174895693) has the molecular formula C12H26MgO4 and a molecular weight of 258.64 g/mol. Its IUPAC name is magnesium;bis(2-ethylbutanoic acid);hydride.

Molecular Properties

Compound Namemagnesium;bis(2-ethylbutanoic acid);hydride
PubChem CID174895693
Molecular FormulaC12H26MgO4
Molecular Weight258.64 g/mol
Exact Mass258.17
IUPAC Namemagnesium;bis(2-ethylbutanoic acid);hydride
SMILESCCC(CC)C(=O)O.CCC(CC)C(=O)O.[H-].[H-].[Mg+2]
InChIInChI=1S/2C6H12O2.Mg.2H/c2*1-3-5(4-2)6(7)8;;;/h2*5H,3-4H2,1-2H3,(H,7,8);;;/q;;+2;2*-1
InChIKeyNGHTXGGQROZKQF-UHFFFAOYSA-N
XLogP2.86
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.64
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

CID 87086045
CID 87086045
ethane;2-ethylbutanoic acid
CID 142229949
CID 123134376
CID 123134376
barium(2+);2-ethylhexanoic acid;hydride
CID 172997422
(2R)-2-(hydroxymethyl)butanoic acid
CID 11586303
(2S)-2-ethylbutanedioic acid
CID 6997245
2-ethylpentanoic acid
CID 158993232
2-ethylpentanoic acid
CID 30020
2-ethylhexanoic acid;palladium(2+)
CID 18629949
cobalt;bis(2-ethylhexanoic acid)
CID 85390748
2-ethylhexanoic acid;niobium
CID 87060397
copper 2-ethylhexanoic acid
CID 54604905

Frequently Asked Questions

What is the IUPAC name of magnesium;bis(2-ethylbutanoic acid);hydride?
The IUPAC name of magnesium;bis(2-ethylbutanoic acid);hydride (CID 174895693) is magnesium;bis(2-ethylbutanoic acid);hydride.
What is the SMILES notation for magnesium;bis(2-ethylbutanoic acid);hydride?
The canonical SMILES for magnesium;bis(2-ethylbutanoic acid);hydride is CCC(CC)C(=O)O.CCC(CC)C(=O)O.[H-].[H-].[Mg+2].
What is the InChIKey of magnesium;bis(2-ethylbutanoic acid);hydride?
The InChIKey is NGHTXGGQROZKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H12O2.Mg.2H/c2*1-3-5(4-2)6(7)8;;;/h2*5H,3-4H2,1-2H3,(H,7,8);;;/q;;+2;2*-1.
What are the key properties of magnesium;bis(2-ethylbutanoic acid);hydride?
magnesium;bis(2-ethylbutanoic acid);hydride has a molecular weight of 258.64 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;bis(2-ethylbutanoic acid);hydride is sourced from PubChem (CID 174895693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).