sodium octadecyl sulfate

C18H37NaO4S — CID 23673604

IUPACsodium octadecyl sulfate
SMILESCCCCCCCCCCCCCCCCCCOS(=O)(=O)[O-].[Na+]
InChIInChI=1S/C18H38O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(19,20)21;/h2-18H2,1H3,(H,19,20,21);/q;+1/p-1
InChIKeyNWZBFJYXRGSRGD-UHFFFAOYSA-M
MW372.55 g/mol
LogP2.73
Rot. Bonds18

About sodium octadecyl sulfate

sodium octadecyl sulfate (PubChem CID 23673604) has the molecular formula C18H37NaO4S and a molecular weight of 372.55 g/mol. Its IUPAC name is sodium octadecyl sulfate.

Molecular Properties

Compound Namesodium octadecyl sulfate
PubChem CID23673604
Molecular FormulaC18H37NaO4S
Molecular Weight372.55 g/mol
Exact Mass372.23
IUPAC Namesodium octadecyl sulfate
SMILESCCCCCCCCCCCCCCCCCCOS(=O)(=O)[O-].[Na+]
InChIInChI=1S/C18H38O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(19,20)21;/h2-18H2,1H3,(H,19,20,21);/q;+1/p-1
InChIKeyNWZBFJYXRGSRGD-UHFFFAOYSA-M
XLogP2.73
TPSA66.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.55
LogP ≤ 52.73
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 nonyl sulfate
CID 23677967
Sodium Octyl Sulfate
CID 2735107
Sodium Laureth-3 Sulfate
CID 23674622
Myristyl sulfate
CID 5248
Diethylene glycol monolauryl ether sodium sulfate
CID 23682204

Frequently Asked Questions

What is the IUPAC name of sodium octadecyl sulfate?
The IUPAC name of sodium octadecyl sulfate (CID 23673604) is sodium octadecyl sulfate.
What is the SMILES notation for sodium octadecyl sulfate?
The canonical SMILES for sodium octadecyl sulfate is CCCCCCCCCCCCCCCCCCOS(=O)(=O)[O-].[Na+].
What is the InChIKey of sodium octadecyl sulfate?
The InChIKey is NWZBFJYXRGSRGD-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H38O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(19,20)21;/h2-18H2,1H3,(H,19,20,21);/q;+1/p-1.
What are the key properties of sodium octadecyl sulfate?
sodium octadecyl sulfate has a molecular weight of 372.55 g/mol, XLogP of 2.73, 18 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium octadecyl sulfate is sourced from PubChem (CID 23673604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).