magnesium;hydride;nonyl nonane-1-sulfonate

C18H40MgO3S — CID 174803071

IUPACmagnesium;hydride;nonyl nonane-1-sulfonate
SMILESCCCCCCCCCOS(=O)(=O)CCCCCCCCC.[H-].[H-].[Mg+2]
InChIInChI=1S/C18H38O3S.Mg.2H/c1-3-5-7-9-11-13-15-17-21-22(19,20)18-16-14-12-10-8-6-4-2;;;/h3-18H2,1-2H3;;;/q;+2;2*-1
InChIKeySDRLBZNMMSXRET-UHFFFAOYSA-N
MW360.89 g/mol
LogP5.68
Rot. Bonds17

About magnesium;hydride;nonyl nonane-1-sulfonate

magnesium;hydride;nonyl nonane-1-sulfonate (PubChem CID 174803071) has the molecular formula C18H40MgO3S and a molecular weight of 360.89 g/mol. Its IUPAC name is magnesium;hydride;nonyl nonane-1-sulfonate.

Molecular Properties

Compound Namemagnesium;hydride;nonyl nonane-1-sulfonate
PubChem CID174803071
Molecular FormulaC18H40MgO3S
Molecular Weight360.89 g/mol
Exact Mass360.25
IUPAC Namemagnesium;hydride;nonyl nonane-1-sulfonate
SMILESCCCCCCCCCOS(=O)(=O)CCCCCCCCC.[H-].[H-].[Mg+2]
InChIInChI=1S/C18H38O3S.Mg.2H/c1-3-5-7-9-11-13-15-17-21-22(19,20)18-16-14-12-10-8-6-4-2;;;/h3-18H2,1-2H3;;;/q;+2;2*-1
InChIKeySDRLBZNMMSXRET-UHFFFAOYSA-N
XLogP5.68
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.89
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

lithium;docosyl dodecane-1-sulfonate;hydride
CID 175529583
sodium;dodecyl dodecane-1-sulfonate;hydride
CID 173412945
tridecyl tridecane-1-sulfonate
CID 123645713
hexadecyl octane-1-sulfonate
CID 172859291
azane;henicosyl dodecane-1-sulfonate
CID 175159978
CID 87587825
CID 87587825
butyl pentane-1-sulfonate
CID 87956203
octyl propane-1-sulfonate
CID 19702367
henicosyl 12-fluorododecane-1-sulfonate
CID 175160167
tridecyl 12-fluorododecane-1-sulfonate
CID 175157147
azane;tetradecyl 9-fluorononane-1-sulfonate
CID 175528973
potassium;hydride;3-hydroxypropyl dodecane-1-sulfonate
CID 174767901

Frequently Asked Questions

What is the IUPAC name of magnesium;hydride;nonyl nonane-1-sulfonate?
The IUPAC name of magnesium;hydride;nonyl nonane-1-sulfonate (CID 174803071) is magnesium;hydride;nonyl nonane-1-sulfonate.
What is the SMILES notation for magnesium;hydride;nonyl nonane-1-sulfonate?
The canonical SMILES for magnesium;hydride;nonyl nonane-1-sulfonate is CCCCCCCCCOS(=O)(=O)CCCCCCCCC.[H-].[H-].[Mg+2].
What is the InChIKey of magnesium;hydride;nonyl nonane-1-sulfonate?
The InChIKey is SDRLBZNMMSXRET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O3S.Mg.2H/c1-3-5-7-9-11-13-15-17-21-22(19,20)18-16-14-12-10-8-6-4-2;;;/h3-18H2,1-2H3;;;/q;+2;2*-1.
What are the key properties of magnesium;hydride;nonyl nonane-1-sulfonate?
magnesium;hydride;nonyl nonane-1-sulfonate has a molecular weight of 360.89 g/mol, XLogP of 5.68, 17 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;hydride;nonyl nonane-1-sulfonate is sourced from PubChem (CID 174803071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).