magnesium;dodecane-1-sulfonic acid;hydride

C12H28MgO3S — CID 173017577

IUPACmagnesium;dodecane-1-sulfonic acid;hydride
SMILESCCCCCCCCCCCCS(=O)(=O)O.[H-].[H-].[Mg+2]
InChIInChI=1S/C12H26O3S.Mg.2H/c1-2-3-4-5-6-7-8-9-10-11-12-16(13,14)15;;;/h2-12H2,1H3,(H,13,14,15);;;/q;+2;2*-1
InChIKeyRARONQDXMSVXAO-UHFFFAOYSA-N
MW276.72 g/mol
LogP3.64
Rot. Bonds11

About magnesium;dodecane-1-sulfonic acid;hydride

magnesium;dodecane-1-sulfonic acid;hydride (PubChem CID 173017577) has the molecular formula C12H28MgO3S and a molecular weight of 276.72 g/mol. Its IUPAC name is magnesium;dodecane-1-sulfonic acid;hydride.

Molecular Properties

Compound Namemagnesium;dodecane-1-sulfonic acid;hydride
PubChem CID173017577
Molecular FormulaC12H28MgO3S
Molecular Weight276.72 g/mol
Exact Mass276.16
IUPAC Namemagnesium;dodecane-1-sulfonic acid;hydride
SMILESCCCCCCCCCCCCS(=O)(=O)O.[H-].[H-].[Mg+2]
InChIInChI=1S/C12H26O3S.Mg.2H/c1-2-3-4-5-6-7-8-9-10-11-12-16(13,14)15;;;/h2-12H2,1H3,(H,13,14,15);;;/q;+2;2*-1
InChIKeyRARONQDXMSVXAO-UHFFFAOYSA-N
XLogP3.64
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

magnesium;hydride;triacontane-1-sulfonic acid
CID 173018039
magnesium;hydride;pentane-1-sulfonic acid
CID 174919972
potassium;hexane-1-sulfonic acid;hydride
CID 173172538
decane-1-sulfonic acid
CID 157391186
sodium;dodecane-1-sulfonic acid;hydride;hydrochloride
CID 175497473
decane-1-sulfonic acid;silver
CID 72587294
azanium octadecane-1-sulfonic acid
CID 20560144
azane;octadecane-1-sulfonic acid
CID 173437409
CID 87263567
CID 87263567
copper;dodecane-1-sulfonic acid
CID 87837218
gold;pentane-1-sulfonic acid
CID 174800543
methanamine;pentane-1-sulfonic acid
CID 87578509

Frequently Asked Questions

What is the IUPAC name of magnesium;dodecane-1-sulfonic acid;hydride?
The IUPAC name of magnesium;dodecane-1-sulfonic acid;hydride (CID 173017577) is magnesium;dodecane-1-sulfonic acid;hydride.
What is the SMILES notation for magnesium;dodecane-1-sulfonic acid;hydride?
The canonical SMILES for magnesium;dodecane-1-sulfonic acid;hydride is CCCCCCCCCCCCS(=O)(=O)O.[H-].[H-].[Mg+2].
What is the InChIKey of magnesium;dodecane-1-sulfonic acid;hydride?
The InChIKey is RARONQDXMSVXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O3S.Mg.2H/c1-2-3-4-5-6-7-8-9-10-11-12-16(13,14)15;;;/h2-12H2,1H3,(H,13,14,15);;;/q;+2;2*-1.
What are the key properties of magnesium;dodecane-1-sulfonic acid;hydride?
magnesium;dodecane-1-sulfonic acid;hydride has a molecular weight of 276.72 g/mol, XLogP of 3.64, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;dodecane-1-sulfonic acid;hydride is sourced from PubChem (CID 173017577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).