magnesium;dodecan-1-ol;hydride;sulfuric acid

C12H30MgO5S — CID 174836259

IUPACmagnesium;dodecan-1-ol;hydride;sulfuric acid
SMILESCCCCCCCCCCCCO.O=S(=O)(O)O.[H-].[H-].[Mg+2]
InChIInChI=1S/C12H26O.Mg.H2O4S.2H/c1-2-3-4-5-6-7-8-9-10-11-12-13;;1-5(2,3)4;;/h13H,2-12H2,1H3;;(H2,1,2,3,4);;/q;+2;;2*-1
InChIKeyFPKFOWTUGVRPLQ-UHFFFAOYSA-N
MW310.74 g/mol
LogP3.09
Rot. Bonds10

About magnesium;dodecan-1-ol;hydride;sulfuric acid

magnesium;dodecan-1-ol;hydride;sulfuric acid (PubChem CID 174836259) has the molecular formula C12H30MgO5S and a molecular weight of 310.74 g/mol. Its IUPAC name is magnesium;dodecan-1-ol;hydride;sulfuric acid.

Molecular Properties

Compound Namemagnesium;dodecan-1-ol;hydride;sulfuric acid
PubChem CID174836259
Molecular FormulaC12H30MgO5S
Molecular Weight310.74 g/mol
Exact Mass310.17
IUPAC Namemagnesium;dodecan-1-ol;hydride;sulfuric acid
SMILESCCCCCCCCCCCCO.O=S(=O)(O)O.[H-].[H-].[Mg+2]
InChIInChI=1S/C12H26O.Mg.H2O4S.2H/c1-2-3-4-5-6-7-8-9-10-11-12-13;;1-5(2,3)4;;/h13H,2-12H2,1H3;;(H2,1,2,3,4);;/q;+2;;2*-1
InChIKeyFPKFOWTUGVRPLQ-UHFFFAOYSA-N
XLogP3.09
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.74
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of magnesium;dodecan-1-ol;hydride;sulfuric acid?
The IUPAC name of magnesium;dodecan-1-ol;hydride;sulfuric acid (CID 174836259) is magnesium;dodecan-1-ol;hydride;sulfuric acid.
What is the SMILES notation for magnesium;dodecan-1-ol;hydride;sulfuric acid?
The canonical SMILES for magnesium;dodecan-1-ol;hydride;sulfuric acid is CCCCCCCCCCCCO.O=S(=O)(O)O.[H-].[H-].[Mg+2].
What is the InChIKey of magnesium;dodecan-1-ol;hydride;sulfuric acid?
The InChIKey is FPKFOWTUGVRPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O.Mg.H2O4S.2H/c1-2-3-4-5-6-7-8-9-10-11-12-13;;1-5(2,3)4;;/h13H,2-12H2,1H3;;(H2,1,2,3,4);;/q;+2;;2*-1.
What are the key properties of magnesium;dodecan-1-ol;hydride;sulfuric acid?
magnesium;dodecan-1-ol;hydride;sulfuric acid has a molecular weight of 310.74 g/mol, XLogP of 3.09, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;dodecan-1-ol;hydride;sulfuric acid is sourced from PubChem (CID 174836259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).