magnesium;4,4-diethyl-3-sulfooxycarbonylnonanoic acid;hydride

C14H28MgO7S — CID 173421766

IUPACmagnesium;4,4-diethyl-3-sulfooxycarbonylnonanoic acid;hydride
SMILESCCCCCC(CC)(CC)C(CC(=O)O)C(=O)OS(=O)(=O)O.[H-].[H-].[Mg+2]
InChIInChI=1S/C14H26O7S.Mg.2H/c1-4-7-8-9-14(5-2,6-3)11(10-12(15)16)13(17)21-22(18,19)20;;;/h11H,4-10H2,1-3H3,(H,15,16)(H,18,19,20);;;/q;+2;2*-1
InChIKeyDKLGDRZVEXJUIQ-UHFFFAOYSA-N
MW364.74 g/mol
LogP2.65
Rot. Bonds11

About magnesium;4,4-diethyl-3-sulfooxycarbonylnonanoic acid;hydride

magnesium;4,4-diethyl-3-sulfooxycarbonylnonanoic acid;hydride (PubChem CID 173421766) has the molecular formula C14H28MgO7S and a molecular weight of 364.74 g/mol. Its IUPAC name is magnesium;4,4-diethyl-3-sulfooxycarbonylnonanoic acid;hydride.

Molecular Properties

Compound Namemagnesium;4,4-diethyl-3-sulfooxycarbonylnonanoic acid;hydride
PubChem CID173421766
Molecular FormulaC14H28MgO7S
Molecular Weight364.74 g/mol
Exact Mass364.14
IUPAC Namemagnesium;4,4-diethyl-3-sulfooxycarbonylnonanoic acid;hydride
SMILESCCCCCC(CC)(CC)C(CC(=O)O)C(=O)OS(=O)(=O)O.[H-].[H-].[Mg+2]
InChIInChI=1S/C14H26O7S.Mg.2H/c1-4-7-8-9-14(5-2,6-3)11(10-12(15)16)13(17)21-22(18,19)20;;;/h11H,4-10H2,1-3H3,(H,15,16)(H,18,19,20);;;/q;+2;2*-1
InChIKeyDKLGDRZVEXJUIQ-UHFFFAOYSA-N
XLogP2.65
TPSA117.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.74
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

3-ethyl-3-hexadecylnonadecan-2-amine;methyl hydrogen sulfate
CID 173344410
calcium;hydride;4-nonoxy-4-oxo-3-sulfobutanoic acid
CID 174803252
octane;sulfo 2-hydroxybutanoate
CID 175267407
4-oxo-3-sulfo-4-sulfooxybutanoic acid
CID 57247480
calcium;hydride;sulfo octadecanoate
CID 173018133
sodium;4-hexoxy-4-oxo-3-sulfobutanoic acid;hydride
CID 174802925
dipotassium;hydride;4-octadecoxy-4-oxo-3-sulfobutanoic acid
CID 174803193
disodium;hydride;4-oxo-3-sulfo-4-undecoxybutanoic acid
CID 174803129
disodium;4-heptadecoxy-4-oxo-3-sulfobutanoic acid;hydride
CID 174802739
sodium;azane;4-dodecoxy-4-oxo-3-sulfobutanoic acid;hydride
CID 173345327
4-oxo-3-sulfooxy-4-tetradecoxybutanoic acid
CID 18955058
4,4,4-trichloro-3-ethoxycarbonylbutanoic acid
CID 174430485

Frequently Asked Questions

What is the IUPAC name of magnesium;4,4-diethyl-3-sulfooxycarbonylnonanoic acid;hydride?
The IUPAC name of magnesium;4,4-diethyl-3-sulfooxycarbonylnonanoic acid;hydride (CID 173421766) is magnesium;4,4-diethyl-3-sulfooxycarbonylnonanoic acid;hydride.
What is the SMILES notation for magnesium;4,4-diethyl-3-sulfooxycarbonylnonanoic acid;hydride?
The canonical SMILES for magnesium;4,4-diethyl-3-sulfooxycarbonylnonanoic acid;hydride is CCCCCC(CC)(CC)C(CC(=O)O)C(=O)OS(=O)(=O)O.[H-].[H-].[Mg+2].
What is the InChIKey of magnesium;4,4-diethyl-3-sulfooxycarbonylnonanoic acid;hydride?
The InChIKey is DKLGDRZVEXJUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O7S.Mg.2H/c1-4-7-8-9-14(5-2,6-3)11(10-12(15)16)13(17)21-22(18,19)20;;;/h11H,4-10H2,1-3H3,(H,15,16)(H,18,19,20);;;/q;+2;2*-1.
What are the key properties of magnesium;4,4-diethyl-3-sulfooxycarbonylnonanoic acid;hydride?
magnesium;4,4-diethyl-3-sulfooxycarbonylnonanoic acid;hydride has a molecular weight of 364.74 g/mol, XLogP of 2.65, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;4,4-diethyl-3-sulfooxycarbonylnonanoic acid;hydride is sourced from PubChem (CID 173421766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).