magnesium dodecyl sulfate

C24H50MgO8S2 — CID 10415276

IUPACmagnesium dodecyl sulfate
SMILESCCCCCCCCCCCCOS(=O)(=O)[O-].CCCCCCCCCCCCOS(=O)(=O)[O-].[Mg+2]
InChIInChI=1S/2C12H26O4S.Mg/c2*1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;/h2*2-12H2,1H3,(H,13,14,15);/q;;+2/p-2
InChIKeyHBNDBUATLJAUQM-UHFFFAOYSA-L
MW555.10 g/mol
LogP6.39
Rot. Bonds24

About magnesium dodecyl sulfate

magnesium dodecyl sulfate (PubChem CID 10415276) has the molecular formula C24H50MgO8S2 and a molecular weight of 555.10 g/mol. Its IUPAC name is magnesium dodecyl sulfate.

Molecular Properties

Compound Namemagnesium dodecyl sulfate
PubChem CID10415276
Molecular FormulaC24H50MgO8S2
Molecular Weight555.10 g/mol
Exact Mass554.28
IUPAC Namemagnesium dodecyl sulfate
SMILESCCCCCCCCCCCCOS(=O)(=O)[O-].CCCCCCCCCCCCOS(=O)(=O)[O-].[Mg+2]
InChIInChI=1S/2C12H26O4S.Mg/c2*1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;/h2*2-12H2,1H3,(H,13,14,15);/q;;+2/p-2
InChIKeyHBNDBUATLJAUQM-UHFFFAOYSA-L
XLogP6.39
TPSA132.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds24
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.10
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

Cetyl sulfate sodium salt
CID 23695542
Sodium Stearyl Sulfate
CID 23673604
Sulfuric acid, monooctadecyl ester
CID 8912
Npc315034
CID 4329331
Sodium Heptadecyl Sulfate
CID 23670849
Zinc dodecyl hydrogen disulphate
CID 22593158
Sodium Cetostearyl Sulfate
CID 23621259
Magnesium laureth-3 sulfate
CID 44150971
Hexadecyl sulfate
CID 8911
n-Octyl sulfate
CID 5121662
Sodium C8-10 alkyl sulfate
CID 129681407
1-Hexadecanol, 1-(hydrogen sulfate), ammonium salt (1:1)
CID 44554694

Frequently Asked Questions

What is the IUPAC name of magnesium dodecyl sulfate?
The IUPAC name of magnesium dodecyl sulfate (CID 10415276) is magnesium dodecyl sulfate.
What is the SMILES notation for magnesium dodecyl sulfate?
The canonical SMILES for magnesium dodecyl sulfate is CCCCCCCCCCCCOS(=O)(=O)[O-].CCCCCCCCCCCCOS(=O)(=O)[O-].[Mg+2].
What is the InChIKey of magnesium dodecyl sulfate?
The InChIKey is HBNDBUATLJAUQM-UHFFFAOYSA-L. The full InChI is InChI=1S/2C12H26O4S.Mg/c2*1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;/h2*2-12H2,1H3,(H,13,14,15);/q;;+2/p-2.
What are the key properties of magnesium dodecyl sulfate?
magnesium dodecyl sulfate has a molecular weight of 555.10 g/mol, XLogP of 6.39, 24 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium dodecyl sulfate is sourced from PubChem (CID 10415276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).