magnesium;hydride;4-methylpentanoic acid

C6H14MgO2 — CID 174689724

IUPACmagnesium;hydride;4-methylpentanoic acid
SMILESCC(C)CCC(=O)O.[H-].[H-].[Mg+2]
InChIInChI=1S/C6H12O2.Mg.2H/c1-5(2)3-4-6(7)8;;;/h5H,3-4H2,1-2H3,(H,7,8);;;/q;+2;2*-1
InChIKeyMSRXZMFPRVYHRR-UHFFFAOYSA-N
MW142.48 g/mol
LogP1.35
Rot. Bonds3

About magnesium;hydride;4-methylpentanoic acid

magnesium;hydride;4-methylpentanoic acid (PubChem CID 174689724) has the molecular formula C6H14MgO2 and a molecular weight of 142.48 g/mol. Its IUPAC name is magnesium;hydride;4-methylpentanoic acid.

Molecular Properties

Compound Namemagnesium;hydride;4-methylpentanoic acid
PubChem CID174689724
Molecular FormulaC6H14MgO2
Molecular Weight142.48 g/mol
Exact Mass142.08
IUPAC Namemagnesium;hydride;4-methylpentanoic acid
SMILESCC(C)CCC(=O)O.[H-].[H-].[Mg+2]
InChIInChI=1S/C6H12O2.Mg.2H/c1-5(2)3-4-6(7)8;;;/h5H,3-4H2,1-2H3,(H,7,8);;;/q;+2;2*-1
InChIKeyMSRXZMFPRVYHRR-UHFFFAOYSA-N
XLogP1.35
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.48
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-methylpentanoic acid;2-methylpropan-1-ol;hydrate
CID 87856192
sodium;hydride;6-methylheptanoic acid
CID 174475906
4-methylpentanoic acid;octanoic acid
CID 88696485
acetylene;butanoic acid;methanamine;4-methylpentanoic acid
CID 170707206
4-aminopentanoic acid;ethane
CID 143436801
calcium;hydride;2-methylpentanedioic acid
CID 173414295
butanoic acid;2-methylpentane
CID 87252946
λ2-plumbane;6-methylheptanoic acid
CID 175289081
gadolinium;tris(6-methylheptanoic acid)
CID 176895771
16-methylheptadecanoic acid
CID 87200881
6-methylheptanoic acid;vanadium
CID 174623955
4-(3-methylbutylsulfanyl)pentanoic acid
CID 107746382

Frequently Asked Questions

What is the IUPAC name of magnesium;hydride;4-methylpentanoic acid?
The IUPAC name of magnesium;hydride;4-methylpentanoic acid (CID 174689724) is magnesium;hydride;4-methylpentanoic acid.
What is the SMILES notation for magnesium;hydride;4-methylpentanoic acid?
The canonical SMILES for magnesium;hydride;4-methylpentanoic acid is CC(C)CCC(=O)O.[H-].[H-].[Mg+2].
What is the InChIKey of magnesium;hydride;4-methylpentanoic acid?
The InChIKey is MSRXZMFPRVYHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2.Mg.2H/c1-5(2)3-4-6(7)8;;;/h5H,3-4H2,1-2H3,(H,7,8);;;/q;+2;2*-1.
What are the key properties of magnesium;hydride;4-methylpentanoic acid?
magnesium;hydride;4-methylpentanoic acid has a molecular weight of 142.48 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;hydride;4-methylpentanoic acid is sourced from PubChem (CID 174689724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).