lithium dodecyl sulfate

C12H25LiO4S — CID 2735071

IUPAClithium dodecyl sulfate
SMILESCCCCCCCCCCCCOS(=O)(=O)[O-].[Li+]
InChIInChI=1S/C12H26O4S.Li/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;/h2-12H2,1H3,(H,13,14,15);/q;+1/p-1
InChIKeyYFVGRULMIQXYNE-UHFFFAOYSA-M
MW272.34 g/mol
LogP0.39
Rot. Bonds12

About lithium dodecyl sulfate

lithium dodecyl sulfate (PubChem CID 2735071) has the molecular formula C12H25LiO4S and a molecular weight of 272.34 g/mol. Its IUPAC name is lithium dodecyl sulfate.

Molecular Properties

Compound Namelithium dodecyl sulfate
PubChem CID2735071
Molecular FormulaC12H25LiO4S
Molecular Weight272.34 g/mol
Exact Mass272.16
IUPAC Namelithium dodecyl sulfate
SMILESCCCCCCCCCCCCOS(=O)(=O)[O-].[Li+]
InChIInChI=1S/C12H26O4S.Li/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;/h2-12H2,1H3,(H,13,14,15);/q;+1/p-1
InChIKeyYFVGRULMIQXYNE-UHFFFAOYSA-M
XLogP0.39
TPSA66.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

Sodium Lauryl Sulfate
CID 3423265
Ammonium Lauryl Sulfate
CID 16700
Sodium Myristyl Sulfate
CID 23665770
Sodium Tridecyl Sulfate
CID 23668353
Lauryl sulfate
CID 8778
Sodium Decyl Sulfate
CID 23665771
Cetyl sulfate sodium salt
CID 23695542
Sodium Stearyl Sulfate
CID 23673604
Sodium nonyl sulfate
CID 23677967
Sodium Octyl Sulfate
CID 2735107
Myristyl sulfate
CID 5248
dodecyl sulfate, (sodium salt)
CID 21909502

Frequently Asked Questions

What is the IUPAC name of lithium dodecyl sulfate?
The IUPAC name of lithium dodecyl sulfate (CID 2735071) is lithium dodecyl sulfate.
What is the SMILES notation for lithium dodecyl sulfate?
The canonical SMILES for lithium dodecyl sulfate is CCCCCCCCCCCCOS(=O)(=O)[O-].[Li+].
What is the InChIKey of lithium dodecyl sulfate?
The InChIKey is YFVGRULMIQXYNE-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H26O4S.Li/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;/h2-12H2,1H3,(H,13,14,15);/q;+1/p-1.
What are the key properties of lithium dodecyl sulfate?
lithium dodecyl sulfate has a molecular weight of 272.34 g/mol, XLogP of 0.39, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium dodecyl sulfate is sourced from PubChem (CID 2735071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).