magnesium;2-decyl-2-dodecylpropanedioic acid;hydride

C25H50MgO4 — CID 174968666

IUPACmagnesium;2-decyl-2-dodecylpropanedioic acid;hydride
SMILESCCCCCCCCCCCCC(CCCCCCCCCC)(C(=O)O)C(=O)O.[H-].[H-].[Mg+2]
InChIInChI=1S/C25H48O4.Mg.2H/c1-3-5-7-9-11-13-14-16-18-20-22-25(23(26)27,24(28)29)21-19-17-15-12-10-8-6-4-2;;;/h3-22H2,1-2H3,(H,26,27)(H,28,29);;;/q;+2;2*-1
InChIKeyIVTKJYDDOPNBPY-UHFFFAOYSA-N
MW438.98 g/mol
LogP7.83
Rot. Bonds22

About magnesium;2-decyl-2-dodecylpropanedioic acid;hydride

magnesium;2-decyl-2-dodecylpropanedioic acid;hydride (PubChem CID 174968666) has the molecular formula C25H50MgO4 and a molecular weight of 438.98 g/mol. Its IUPAC name is magnesium;2-decyl-2-dodecylpropanedioic acid;hydride.

Molecular Properties

Compound Namemagnesium;2-decyl-2-dodecylpropanedioic acid;hydride
PubChem CID174968666
Molecular FormulaC25H50MgO4
Molecular Weight438.98 g/mol
Exact Mass438.36
IUPAC Namemagnesium;2-decyl-2-dodecylpropanedioic acid;hydride
SMILESCCCCCCCCCCCCC(CCCCCCCCCC)(C(=O)O)C(=O)O.[H-].[H-].[Mg+2]
InChIInChI=1S/C25H48O4.Mg.2H/c1-3-5-7-9-11-13-14-16-18-20-22-25(23(26)27,24(28)29)21-19-17-15-12-10-8-6-4-2;;;/h3-22H2,1-2H3,(H,26,27)(H,28,29);;;/q;+2;2*-1
InChIKeyIVTKJYDDOPNBPY-UHFFFAOYSA-N
XLogP7.83
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds22
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.98
LogP ≤ 57.83
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-dodecyl-2-heptylpropanedioic acid;hydride
CID 174968518
barium(2+);2-dodecyl-2-hexylpropanedioic acid;hydride
CID 174968898
tridecane-1,3,3-tricarboxylic acid
CID 154094669
nonadecane-1,3,3-tricarboxylic acid
CID 19100519
carbon dioxide;2,2-di(undecyl)propanedioic acid;docosane-1,11,11-tricarboxylic acid;tricosanoic acid
CID 167695436
magnesium;2,2-dipropylpropanedioic acid;hydride
CID 174967790
magnesium;2,2-dimethyloctanoic acid;hydride
CID 173414745
2-dodecyl-2-(3-phenylpropyl)propanedioic acid
CID 139782878
2-hydroxy-2-methylheptadecanoic acid
CID 19591844
octadecane-1,1,1-tricarboxylic acid
CID 57231234
2,9-dihexyl-2,9-dioctyldecanedioic acid
CID 172763339
2-dodecyl-2-octyltetradecanoic acid
CID 24889792

Frequently Asked Questions

What is the IUPAC name of magnesium;2-decyl-2-dodecylpropanedioic acid;hydride?
The IUPAC name of magnesium;2-decyl-2-dodecylpropanedioic acid;hydride (CID 174968666) is magnesium;2-decyl-2-dodecylpropanedioic acid;hydride.
What is the SMILES notation for magnesium;2-decyl-2-dodecylpropanedioic acid;hydride?
The canonical SMILES for magnesium;2-decyl-2-dodecylpropanedioic acid;hydride is CCCCCCCCCCCCC(CCCCCCCCCC)(C(=O)O)C(=O)O.[H-].[H-].[Mg+2].
What is the InChIKey of magnesium;2-decyl-2-dodecylpropanedioic acid;hydride?
The InChIKey is IVTKJYDDOPNBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H48O4.Mg.2H/c1-3-5-7-9-11-13-14-16-18-20-22-25(23(26)27,24(28)29)21-19-17-15-12-10-8-6-4-2;;;/h3-22H2,1-2H3,(H,26,27)(H,28,29);;;/q;+2;2*-1.
What are the key properties of magnesium;2-decyl-2-dodecylpropanedioic acid;hydride?
magnesium;2-decyl-2-dodecylpropanedioic acid;hydride has a molecular weight of 438.98 g/mol, XLogP of 7.83, 22 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;2-decyl-2-dodecylpropanedioic acid;hydride is sourced from PubChem (CID 174968666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).