magnesium;hydride;triacontane-1-sulfonic acid

C30H64MgO3S — CID 173018039

IUPACmagnesium;hydride;triacontane-1-sulfonic acid
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCS(=O)(=O)O.[H-].[H-].[Mg+2]
InChIInChI=1S/C30H62O3S.Mg.2H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-34(31,32)33;;;/h2-30H2,1H3,(H,31,32,33);;;/q;+2;2*-1
InChIKeyPQAYPAHNNXZMQX-UHFFFAOYSA-N
MW529.21 g/mol
LogP10.66
Rot. Bonds29

About magnesium;hydride;triacontane-1-sulfonic acid

magnesium;hydride;triacontane-1-sulfonic acid (PubChem CID 173018039) has the molecular formula C30H64MgO3S and a molecular weight of 529.21 g/mol. Its IUPAC name is magnesium;hydride;triacontane-1-sulfonic acid.

Molecular Properties

Compound Namemagnesium;hydride;triacontane-1-sulfonic acid
PubChem CID173018039
Molecular FormulaC30H64MgO3S
Molecular Weight529.21 g/mol
Exact Mass528.44
IUPAC Namemagnesium;hydride;triacontane-1-sulfonic acid
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCS(=O)(=O)O.[H-].[H-].[Mg+2]
InChIInChI=1S/C30H62O3S.Mg.2H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-34(31,32)33;;;/h2-30H2,1H3,(H,31,32,33);;;/q;+2;2*-1
InChIKeyPQAYPAHNNXZMQX-UHFFFAOYSA-N
XLogP10.66
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds29
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.21
LogP ≤ 510.66
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;dodecane-1-sulfonic acid;hydride
CID 173017577
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;hydride;triacontane-1-sulfonic acid?
The IUPAC name of magnesium;hydride;triacontane-1-sulfonic acid (CID 173018039) is magnesium;hydride;triacontane-1-sulfonic acid.
What is the SMILES notation for magnesium;hydride;triacontane-1-sulfonic acid?
The canonical SMILES for magnesium;hydride;triacontane-1-sulfonic acid is CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCS(=O)(=O)O.[H-].[H-].[Mg+2].
What is the InChIKey of magnesium;hydride;triacontane-1-sulfonic acid?
The InChIKey is PQAYPAHNNXZMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H62O3S.Mg.2H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-34(31,32)33;;;/h2-30H2,1H3,(H,31,32,33);;;/q;+2;2*-1.
What are the key properties of magnesium;hydride;triacontane-1-sulfonic acid?
magnesium;hydride;triacontane-1-sulfonic acid has a molecular weight of 529.21 g/mol, XLogP of 10.66, 29 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;hydride;triacontane-1-sulfonic acid is sourced from PubChem (CID 173018039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).