sodium dodecyl sulfate

C12H25NaO4S — CID 3423265

IUPACsodium dodecyl sulfate
SMILESCCCCCCCCCCCCOS(=O)(=O)[O-].[Na+]
InChIInChI=1S/C12H26O4S.Na/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
InChIKeyDBMJMQXJHONAFJ-UHFFFAOYSA-M
MW288.38 g/mol
LogP0.39
Rot. Bonds12

About sodium dodecyl sulfate

sodium dodecyl sulfate (PubChem CID 3423265) has the molecular formula C12H25NaO4S and a molecular weight of 288.38 g/mol. Its IUPAC name is sodium dodecyl sulfate.

Molecular Properties

Compound Namesodium dodecyl sulfate
PubChem CID3423265
Molecular FormulaC12H25NaO4S
Molecular Weight288.38 g/mol
Exact Mass288.14
IUPAC Namesodium dodecyl sulfate
SMILESCCCCCCCCCCCCOS(=O)(=O)[O-].[Na+]
InChIInChI=1S/C12H26O4S.Na/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
InChIKeyDBMJMQXJHONAFJ-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 ≤ 500288.38
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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Frequently Asked Questions

What is the IUPAC name of sodium dodecyl sulfate?
The IUPAC name of sodium dodecyl sulfate (CID 3423265) is sodium dodecyl sulfate.
What is the SMILES notation for sodium dodecyl sulfate?
The canonical SMILES for sodium dodecyl sulfate is CCCCCCCCCCCCOS(=O)(=O)[O-].[Na+].
What is the InChIKey of sodium dodecyl sulfate?
The InChIKey is DBMJMQXJHONAFJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H26O4S.Na/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 sodium dodecyl sulfate?
sodium dodecyl sulfate has a molecular weight of 288.38 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 sodium dodecyl sulfate is sourced from PubChem (CID 3423265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).