sodium cyclododecyl sulfate

C12H23NaO4S — CID 22895902

IUPACsodium cyclododecyl sulfate
SMILESO=S(=O)([O-])OC1CCCCCCCCCCC1.[Na+]
InChIInChI=1S/C12H24O4S.Na/c13-17(14,15)16-12-10-8-6-4-2-1-3-5-7-9-11-12;/h12H,1-11H2,(H,13,14,15);/q;+1/p-1
InChIKeyYZPVDVBPEQMZAK-UHFFFAOYSA-M
MW286.37 g/mol
LogP0.14
Rot. Bonds2

About sodium cyclododecyl sulfate

sodium cyclododecyl sulfate (PubChem CID 22895902) has the molecular formula C12H23NaO4S and a molecular weight of 286.37 g/mol. Its IUPAC name is sodium cyclododecyl sulfate.

Molecular Properties

Compound Namesodium cyclododecyl sulfate
PubChem CID22895902
Molecular FormulaC12H23NaO4S
Molecular Weight286.37 g/mol
Exact Mass286.12
IUPAC Namesodium cyclododecyl sulfate
SMILESO=S(=O)([O-])OC1CCCCCCCCCCC1.[Na+]
InChIInChI=1S/C12H24O4S.Na/c13-17(14,15)16-12-10-8-6-4-2-1-3-5-7-9-11-12;/h12H,1-11H2,(H,13,14,15);/q;+1/p-1
InChIKeyYZPVDVBPEQMZAK-UHFFFAOYSA-M
XLogP0.14
TPSA66.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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
Sodium Myristyl Sulfate
CID 23665770
Sodium Tridecyl Sulfate
CID 23668353
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
Npc315034
CID 4329331
dodecyl sulfate, (sodium salt)
CID 21909502
Sodium Heptadecyl Sulfate
CID 23670849
n-Octyl sulfate
CID 5121662

Frequently Asked Questions

What is the IUPAC name of sodium cyclododecyl sulfate?
The IUPAC name of sodium cyclododecyl sulfate (CID 22895902) is sodium cyclododecyl sulfate.
What is the SMILES notation for sodium cyclododecyl sulfate?
The canonical SMILES for sodium cyclododecyl sulfate is O=S(=O)([O-])OC1CCCCCCCCCCC1.[Na+].
What is the InChIKey of sodium cyclododecyl sulfate?
The InChIKey is YZPVDVBPEQMZAK-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H24O4S.Na/c13-17(14,15)16-12-10-8-6-4-2-1-3-5-7-9-11-12;/h12H,1-11H2,(H,13,14,15);/q;+1/p-1.
What are the key properties of sodium cyclododecyl sulfate?
sodium cyclododecyl sulfate has a molecular weight of 286.37 g/mol, XLogP of 0.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium cyclododecyl sulfate is sourced from PubChem (CID 22895902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).