magnesium;hydride;2-nonyl-2-propan-2-ylpropanedioic acid

C15H30MgO4 — CID 174967661

IUPACmagnesium;hydride;2-nonyl-2-propan-2-ylpropanedioic acid
SMILESCCCCCCCCCC(C(=O)O)(C(=O)O)C(C)C.[H-].[H-].[Mg+2]
InChIInChI=1S/C15H28O4.Mg.2H/c1-4-5-6-7-8-9-10-11-15(12(2)3,13(16)17)14(18)19;;;/h12H,4-11H2,1-3H3,(H,16,17)(H,18,19);;;/q;+2;2*-1
InChIKeyZLSFNDUAFPFFDN-UHFFFAOYSA-N
MW298.71 g/mol
LogP3.78
Rot. Bonds11

About magnesium;hydride;2-nonyl-2-propan-2-ylpropanedioic acid

magnesium;hydride;2-nonyl-2-propan-2-ylpropanedioic acid (PubChem CID 174967661) has the molecular formula C15H30MgO4 and a molecular weight of 298.71 g/mol. Its IUPAC name is magnesium;hydride;2-nonyl-2-propan-2-ylpropanedioic acid.

Molecular Properties

Compound Namemagnesium;hydride;2-nonyl-2-propan-2-ylpropanedioic acid
PubChem CID174967661
Molecular FormulaC15H30MgO4
Molecular Weight298.71 g/mol
Exact Mass298.20
IUPAC Namemagnesium;hydride;2-nonyl-2-propan-2-ylpropanedioic acid
SMILESCCCCCCCCCC(C(=O)O)(C(=O)O)C(C)C.[H-].[H-].[Mg+2]
InChIInChI=1S/C15H28O4.Mg.2H/c1-4-5-6-7-8-9-10-11-15(12(2)3,13(16)17)14(18)19;;;/h12H,4-11H2,1-3H3,(H,16,17)(H,18,19);;;/q;+2;2*-1
InChIKeyZLSFNDUAFPFFDN-UHFFFAOYSA-N
XLogP3.78
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.71
LogP ≤ 53.78
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

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CID 174968789
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CID 142714216
lithium;potassium;2-heptyl-2-propan-2-ylpropanedioate
CID 139411544
magnesium;2-decyl-2-dodecylpropanedioic acid;hydride
CID 174968666
2-hydroxy-2-propan-2-yloctadecanoic acid
CID 88541048
magnesium;2,2-dimethyloctanoic acid;hydride
CID 173414745
calcium;2-dodecyl-2-heptylpropanedioic acid;hydride
CID 174968518
2-butyl-2-dodecan-5-ylpropanedioic acid
CID 156789109
barium(2+);2-dodecyl-2-hexylpropanedioic acid;hydride
CID 174968898
2-hydroxy-2-methylheptadecanoic acid
CID 19591844
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;hydride;2-nonyl-2-propan-2-ylpropanedioic acid?
The IUPAC name of magnesium;hydride;2-nonyl-2-propan-2-ylpropanedioic acid (CID 174967661) is magnesium;hydride;2-nonyl-2-propan-2-ylpropanedioic acid.
What is the SMILES notation for magnesium;hydride;2-nonyl-2-propan-2-ylpropanedioic acid?
The canonical SMILES for magnesium;hydride;2-nonyl-2-propan-2-ylpropanedioic acid is CCCCCCCCCC(C(=O)O)(C(=O)O)C(C)C.[H-].[H-].[Mg+2].
What is the InChIKey of magnesium;hydride;2-nonyl-2-propan-2-ylpropanedioic acid?
The InChIKey is ZLSFNDUAFPFFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O4.Mg.2H/c1-4-5-6-7-8-9-10-11-15(12(2)3,13(16)17)14(18)19;;;/h12H,4-11H2,1-3H3,(H,16,17)(H,18,19);;;/q;+2;2*-1.
What are the key properties of magnesium;hydride;2-nonyl-2-propan-2-ylpropanedioic acid?
magnesium;hydride;2-nonyl-2-propan-2-ylpropanedioic acid has a molecular weight of 298.71 g/mol, XLogP of 3.78, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;hydride;2-nonyl-2-propan-2-ylpropanedioic acid is sourced from PubChem (CID 174967661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).