magnesium;2-decylpropanedioic acid;hydride

C13H26MgO4 — CID 174968780

IUPACmagnesium;2-decylpropanedioic acid;hydride
SMILESCCCCCCCCCCC(C(=O)O)C(=O)O.[H-].[H-].[Mg+2]
InChIInChI=1S/C13H24O4.Mg.2H/c1-2-3-4-5-6-7-8-9-10-11(12(14)15)13(16)17;;;/h11H,2-10H2,1H3,(H,14,15)(H,16,17);;;/q;+2;2*-1
InChIKeyKMAFEQKEGSVMHR-UHFFFAOYSA-N
MW270.65 g/mol
LogP3.15
Rot. Bonds11

About magnesium;2-decylpropanedioic acid;hydride

magnesium;2-decylpropanedioic acid;hydride (PubChem CID 174968780) has the molecular formula C13H26MgO4 and a molecular weight of 270.65 g/mol. Its IUPAC name is magnesium;2-decylpropanedioic acid;hydride.

Molecular Properties

Compound Namemagnesium;2-decylpropanedioic acid;hydride
PubChem CID174968780
Molecular FormulaC13H26MgO4
Molecular Weight270.65 g/mol
Exact Mass270.17
IUPAC Namemagnesium;2-decylpropanedioic acid;hydride
SMILESCCCCCCCCCCC(C(=O)O)C(=O)O.[H-].[H-].[Mg+2]
InChIInChI=1S/C13H24O4.Mg.2H/c1-2-3-4-5-6-7-8-9-10-11(12(14)15)13(16)17;;;/h11H,2-10H2,1H3,(H,14,15)(H,16,17);;;/q;+2;2*-1
InChIKeyKMAFEQKEGSVMHR-UHFFFAOYSA-N
XLogP3.15
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.65
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

calcium;2-dodecylpropanedioic acid;hydride
CID 174967778
2-nonacosylpropanedioic acid
CID 19851286
2-octylpropanedioic acid
CID 12972
2-icosylpropanedioic acid
CID 11582738
magnesium;2-butylpropanedioic acid;hydride
CID 174337936
2-(6-ethylpentadecyl)propanedioic acid
CID 87568390
2-decylpropanedioic acid;ethane-1,2-diol
CID 174702974
2-(8-nonyl-9-octyloctadecyl)propanedioic acid
CID 142769459
dodecanedioic acid;2-undecylpropanedioic acid
CID 160978167
trilithium;2-octylpropanedioic acid;borate
CID 175907806
2-octylpropanedioic acid;undecanedioic acid
CID 159177053
2-[(Z)-hexadec-7-enyl]propanedioic acid
CID 87263289

Frequently Asked Questions

What is the IUPAC name of magnesium;2-decylpropanedioic acid;hydride?
The IUPAC name of magnesium;2-decylpropanedioic acid;hydride (CID 174968780) is magnesium;2-decylpropanedioic acid;hydride.
What is the SMILES notation for magnesium;2-decylpropanedioic acid;hydride?
The canonical SMILES for magnesium;2-decylpropanedioic acid;hydride is CCCCCCCCCCC(C(=O)O)C(=O)O.[H-].[H-].[Mg+2].
What is the InChIKey of magnesium;2-decylpropanedioic acid;hydride?
The InChIKey is KMAFEQKEGSVMHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O4.Mg.2H/c1-2-3-4-5-6-7-8-9-10-11(12(14)15)13(16)17;;;/h11H,2-10H2,1H3,(H,14,15)(H,16,17);;;/q;+2;2*-1.
What are the key properties of magnesium;2-decylpropanedioic acid;hydride?
magnesium;2-decylpropanedioic acid;hydride has a molecular weight of 270.65 g/mol, XLogP of 3.15, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;2-decylpropanedioic acid;hydride is sourced from PubChem (CID 174968780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).