magnesium;butan-2-ol;2-methylpropane;propanedioic acid

C11H23MgO5+ — CID 173393913

IUPACmagnesium;butan-2-ol;2-methylpropane;propanedioic acid
SMILESCCC(C)O.C[C-](C)C.O=C(O)CC(=O)O.[Mg+2]
InChIInChI=1S/C4H10O.C4H9.C3H4O4.Mg/c1-3-4(2)5;1-4(2)3;4-2(5)1-3(6)7;/h4-5H,3H2,1-2H3;1-3H3;1H2,(H,4,5)(H,6,7);/q;-1;;+2
InChIKeyAASWBPSLOQAFNB-UHFFFAOYSA-N
MW259.60 g/mol
LogP1.56
Rot. Bonds3

About magnesium;butan-2-ol;2-methylpropane;propanedioic acid

magnesium;butan-2-ol;2-methylpropane;propanedioic acid (PubChem CID 173393913) has the molecular formula C11H23MgO5+ and a molecular weight of 259.60 g/mol. Its IUPAC name is magnesium;butan-2-ol;2-methylpropane;propanedioic acid.

Molecular Properties

Compound Namemagnesium;butan-2-ol;2-methylpropane;propanedioic acid
PubChem CID173393913
Molecular FormulaC11H23MgO5+
Molecular Weight259.60 g/mol
Exact Mass259.14
IUPAC Namemagnesium;butan-2-ol;2-methylpropane;propanedioic acid
SMILESCCC(C)O.C[C-](C)C.O=C(O)CC(=O)O.[Mg+2]
InChIInChI=1S/C4H10O.C4H9.C3H4O4.Mg/c1-3-4(2)5;1-4(2)3;4-2(5)1-3(6)7;/h4-5H,3H2,1-2H3;1-3H3;1H2,(H,4,5)(H,6,7);/q;-1;;+2
InChIKeyAASWBPSLOQAFNB-UHFFFAOYSA-N
XLogP1.56
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.60
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze magnesium;butan-2-ol;2-methylpropane;propanedioic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis(butan-2-ol);3-oxobutanoic acid
CID 87251027
acetic acid;bis(butan-2-ol)
CID 139558658
2-hydroxypropanoic acid;propanedioic acid
CID 87923632
2-hydroxypropanoic acid;propanedioic acid;propanoic acid
CID 172861837
tris(butan-2-ol);gallane
CID 175569742
pentakis(butan-2-ol);molybdenum
CID 152613437
methanol;propanedioic acid
CID 87156965
aluminum butan-2-ol
CID 23623700
CID 157498325
CID 157498325
CID 90459779
CID 90459779
bis(butan-2-ol);carbanide;oxovanadium
CID 536550
alumane;tris(butan-2-ol);hexanoic acid
CID 173138466

Frequently Asked Questions

What is the IUPAC name of magnesium;butan-2-ol;2-methylpropane;propanedioic acid?
The IUPAC name of magnesium;butan-2-ol;2-methylpropane;propanedioic acid (CID 173393913) is magnesium;butan-2-ol;2-methylpropane;propanedioic acid.
What is the SMILES notation for magnesium;butan-2-ol;2-methylpropane;propanedioic acid?
The canonical SMILES for magnesium;butan-2-ol;2-methylpropane;propanedioic acid is CCC(C)O.C[C-](C)C.O=C(O)CC(=O)O.[Mg+2].
What is the InChIKey of magnesium;butan-2-ol;2-methylpropane;propanedioic acid?
The InChIKey is AASWBPSLOQAFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O.C4H9.C3H4O4.Mg/c1-3-4(2)5;1-4(2)3;4-2(5)1-3(6)7;/h4-5H,3H2,1-2H3;1-3H3;1H2,(H,4,5)(H,6,7);/q;-1;;+2.
What are the key properties of magnesium;butan-2-ol;2-methylpropane;propanedioic acid?
magnesium;butan-2-ol;2-methylpropane;propanedioic acid has a molecular weight of 259.60 g/mol, XLogP of 1.56, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;butan-2-ol;2-methylpropane;propanedioic acid is sourced from PubChem (CID 173393913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).