magnesium;2,2-dipropylpropanedioic acid;hydride

C9H18MgO4 — CID 174967790

IUPACmagnesium;2,2-dipropylpropanedioic acid;hydride
SMILESCCCC(CCC)(C(=O)O)C(=O)O.[H-].[H-].[Mg+2]
InChIInChI=1S/C9H16O4.Mg.2H/c1-3-5-9(6-4-2,7(10)11)8(12)13;;;/h3-6H2,1-2H3,(H,10,11)(H,12,13);;;/q;+2;2*-1
InChIKeyAWNRECFTTGMHMH-UHFFFAOYSA-N
MW214.54 g/mol
LogP1.59
Rot. Bonds6

About magnesium;2,2-dipropylpropanedioic acid;hydride

magnesium;2,2-dipropylpropanedioic acid;hydride (PubChem CID 174967790) has the molecular formula C9H18MgO4 and a molecular weight of 214.54 g/mol. Its IUPAC name is magnesium;2,2-dipropylpropanedioic acid;hydride.

Molecular Properties

Compound Namemagnesium;2,2-dipropylpropanedioic acid;hydride
PubChem CID174967790
Molecular FormulaC9H18MgO4
Molecular Weight214.54 g/mol
Exact Mass214.11
IUPAC Namemagnesium;2,2-dipropylpropanedioic acid;hydride
SMILESCCCC(CCC)(C(=O)O)C(=O)O.[H-].[H-].[Mg+2]
InChIInChI=1S/C9H16O4.Mg.2H/c1-3-5-9(6-4-2,7(10)11)8(12)13;;;/h3-6H2,1-2H3,(H,10,11)(H,12,13);;;/q;+2;2*-1
InChIKeyAWNRECFTTGMHMH-UHFFFAOYSA-N
XLogP1.59
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.54
LogP ≤ 51.59
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

magnesium;2-decyl-2-dodecylpropanedioic acid;hydride
CID 174968666
3-oxo-2,2-dipropylpentanoic acid
CID 175535849
2-carbonobromidoyl-2-propylpentanoic acid
CID 21328881
calcium;2-dodecyl-2-heptylpropanedioic acid;hydride
CID 174968518
magnesium;2,2-diethylpropanedioic acid;hydride
CID 173359738
barium(2+);2-dodecyl-2-hexylpropanedioic acid;hydride
CID 174968898
(2S)-2-(2-amino-2-oxoethyl)-2-(methylcarbamoyl)pentanoic acid
CID 172718886
2-(cyclobutylmethyl)-2-propylpropanedioic acid
CID 174560392
2,2-bis(4-hydroxyoctyl)propanedioic acid
CID 146624626
barium(2+);2-tert-butyl-2-propylpropanedioic acid;hydride
CID 174968802
2-[6-[decyl(3-hydroxypropyl)amino]hexyl]-2-propylpropanedioic acid
CID 175979651
tridecane-1,3,3-tricarboxylic acid
CID 154094669

Frequently Asked Questions

What is the IUPAC name of magnesium;2,2-dipropylpropanedioic acid;hydride?
The IUPAC name of magnesium;2,2-dipropylpropanedioic acid;hydride (CID 174967790) is magnesium;2,2-dipropylpropanedioic acid;hydride.
What is the SMILES notation for magnesium;2,2-dipropylpropanedioic acid;hydride?
The canonical SMILES for magnesium;2,2-dipropylpropanedioic acid;hydride is CCCC(CCC)(C(=O)O)C(=O)O.[H-].[H-].[Mg+2].
What is the InChIKey of magnesium;2,2-dipropylpropanedioic acid;hydride?
The InChIKey is AWNRECFTTGMHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O4.Mg.2H/c1-3-5-9(6-4-2,7(10)11)8(12)13;;;/h3-6H2,1-2H3,(H,10,11)(H,12,13);;;/q;+2;2*-1.
What are the key properties of magnesium;2,2-dipropylpropanedioic acid;hydride?
magnesium;2,2-dipropylpropanedioic acid;hydride has a molecular weight of 214.54 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;2,2-dipropylpropanedioic acid;hydride is sourced from PubChem (CID 174967790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).