magnesium;2-hexan-2-yl-2-methylpropanedioic acid;hydride

C10H20MgO4 — CID 174967737

IUPACmagnesium;2-hexan-2-yl-2-methylpropanedioic acid;hydride
SMILESCCCCC(C)C(C)(C(=O)O)C(=O)O.[H-].[H-].[Mg+2]
InChIInChI=1S/C10H18O4.Mg.2H/c1-4-5-6-7(2)10(3,8(11)12)9(13)14;;;/h7H,4-6H2,1-3H3,(H,11,12)(H,13,14);;;/q;+2;2*-1
InChIKeyFXELWUGKOUBRJA-UHFFFAOYSA-N
MW228.57 g/mol
LogP1.83
Rot. Bonds6

About magnesium;2-hexan-2-yl-2-methylpropanedioic acid;hydride

magnesium;2-hexan-2-yl-2-methylpropanedioic acid;hydride (PubChem CID 174967737) has the molecular formula C10H20MgO4 and a molecular weight of 228.57 g/mol. Its IUPAC name is magnesium;2-hexan-2-yl-2-methylpropanedioic acid;hydride.

Molecular Properties

Compound Namemagnesium;2-hexan-2-yl-2-methylpropanedioic acid;hydride
PubChem CID174967737
Molecular FormulaC10H20MgO4
Molecular Weight228.57 g/mol
Exact Mass228.12
IUPAC Namemagnesium;2-hexan-2-yl-2-methylpropanedioic acid;hydride
SMILESCCCCC(C)C(C)(C(=O)O)C(=O)O.[H-].[H-].[Mg+2]
InChIInChI=1S/C10H18O4.Mg.2H/c1-4-5-6-7(2)10(3,8(11)12)9(13)14;;;/h7H,4-6H2,1-3H3,(H,11,12)(H,13,14);;;/q;+2;2*-1
InChIKeyFXELWUGKOUBRJA-UHFFFAOYSA-N
XLogP1.83
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.57
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

sodium;2-heptan-3-yl-2-methylpropanedioic acid;hydride
CID 175370933
potassium;sodium;2-butan-2-yl-2-methylpropanedioic acid;hydride
CID 174967495
bis(hexan-2-amine);oxalic acid
CID 175216358
3-hydroxy-3,4-dimethyloctan-2-one
CID 87291825
potassium 2,2,3-trimethylheptanoate
CID 175224943
lithium;potassium;2-heptan-2-yl-2-methylpropanedioate
CID 139411138
2,3-dimethyl-2-(methylcarbamoyl)hexanoic acid
CID 107889835
magnesium;2-butylpropanedioic acid;hydride
CID 174337936
2-ethoxycarbonyl-2,3-dimethylhexanoic acid
CID 107889825
potassium;sodium;2-methyl-2-octan-2-ylpropanedioate
CID 139411583
dimethyl 2-decan-2-yl-2-methylpropanedioate
CID 139764919
methyl 2,2,3-trimethylheptanoate
CID 87200659

Frequently Asked Questions

What is the IUPAC name of magnesium;2-hexan-2-yl-2-methylpropanedioic acid;hydride?
The IUPAC name of magnesium;2-hexan-2-yl-2-methylpropanedioic acid;hydride (CID 174967737) is magnesium;2-hexan-2-yl-2-methylpropanedioic acid;hydride.
What is the SMILES notation for magnesium;2-hexan-2-yl-2-methylpropanedioic acid;hydride?
The canonical SMILES for magnesium;2-hexan-2-yl-2-methylpropanedioic acid;hydride is CCCCC(C)C(C)(C(=O)O)C(=O)O.[H-].[H-].[Mg+2].
What is the InChIKey of magnesium;2-hexan-2-yl-2-methylpropanedioic acid;hydride?
The InChIKey is FXELWUGKOUBRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4.Mg.2H/c1-4-5-6-7(2)10(3,8(11)12)9(13)14;;;/h7H,4-6H2,1-3H3,(H,11,12)(H,13,14);;;/q;+2;2*-1.
What are the key properties of magnesium;2-hexan-2-yl-2-methylpropanedioic acid;hydride?
magnesium;2-hexan-2-yl-2-methylpropanedioic acid;hydride has a molecular weight of 228.57 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;2-hexan-2-yl-2-methylpropanedioic acid;hydride is sourced from PubChem (CID 174967737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).