cesium dodecyl sulfate

C12H25CsO4S — CID 23711718

IUPACcesium dodecyl sulfate
SMILESCCCCCCCCCCCCOS(=O)(=O)[O-].[Cs+]
InChIInChI=1S/C12H26O4S.Cs/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
InChIKeyWSVCMERNSQBOPR-UHFFFAOYSA-M
MW398.30 g/mol
LogP0.39
Rot. Bonds12

About cesium dodecyl sulfate

cesium dodecyl sulfate (PubChem CID 23711718) has the molecular formula C12H25CsO4S and a molecular weight of 398.30 g/mol. Its IUPAC name is cesium dodecyl sulfate.

Molecular Properties

Compound Namecesium dodecyl sulfate
PubChem CID23711718
Molecular FormulaC12H25CsO4S
Molecular Weight398.30 g/mol
Exact Mass398.05
IUPAC Namecesium dodecyl sulfate
SMILESCCCCCCCCCCCCOS(=O)(=O)[O-].[Cs+]
InChIInChI=1S/C12H26O4S.Cs/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
InChIKeyWSVCMERNSQBOPR-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 ≤ 500398.30
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

potassium decyl sulfate
CID 23673657
calcium nonyl sulfate
CID 101286747
cobalt(2+);dodecyl sulfate
CID 87268751
dodecyl sulfate;gadolinium(3+)
CID 102378284
sodium tetradecyl sulfate
CID 23665770
sodium heptacosyl sulfate
CID 155090064
sodium hexyl sulfate
CID 23678858
copper(1+);dodecyl sulfate
CID 174360133
disodium bis(hexadecyl sulfate)
CID 10394875
magnesium bis(tricosyl sulfate)
CID 101286759
zinc octyl sulfate
CID 139716471
sodium pentadecyl sulfate
CID 23700089

Frequently Asked Questions

What is the IUPAC name of cesium dodecyl sulfate?
The IUPAC name of cesium dodecyl sulfate (CID 23711718) is cesium dodecyl sulfate.
What is the SMILES notation for cesium dodecyl sulfate?
The canonical SMILES for cesium dodecyl sulfate is CCCCCCCCCCCCOS(=O)(=O)[O-].[Cs+].
What is the InChIKey of cesium dodecyl sulfate?
The InChIKey is WSVCMERNSQBOPR-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H26O4S.Cs/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 cesium dodecyl sulfate?
cesium dodecyl sulfate has a molecular weight of 398.30 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 cesium dodecyl sulfate is sourced from PubChem (CID 23711718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).