decylazanium;ethyl sulfate

C12H29NO4S — CID 18691714

IUPACdecylazanium;ethyl sulfate
SMILESCCCCCCCCCC[NH3+].CCOS(=O)(=O)[O-]
InChIInChI=1S/C10H23N.C2H6O4S/c1-2-3-4-5-6-7-8-9-10-11;1-2-6-7(3,4)5/h2-11H2,1H3;2H2,1H3,(H,3,4,5)
InChIKeyWETYPCHDUJTQGP-UHFFFAOYSA-N
MW283.43 g/mol
LogP1.85
Rot. Bonds10

About decylazanium;ethyl sulfate

decylazanium;ethyl sulfate (PubChem CID 18691714) has the molecular formula C12H29NO4S and a molecular weight of 283.43 g/mol. Its IUPAC name is decylazanium;ethyl sulfate.

Molecular Properties

Compound Namedecylazanium;ethyl sulfate
PubChem CID18691714
Molecular FormulaC12H29NO4S
Molecular Weight283.43 g/mol
Exact Mass283.18
IUPAC Namedecylazanium;ethyl sulfate
SMILESCCCCCCCCCC[NH3+].CCOS(=O)(=O)[O-]
InChIInChI=1S/C10H23N.C2H6O4S/c1-2-3-4-5-6-7-8-9-10-11;1-2-6-7(3,4)5/h2-11H2,1H3;2H2,1H3,(H,3,4,5)
InChIKeyWETYPCHDUJTQGP-UHFFFAOYSA-N
XLogP1.85
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.43
LogP ≤ 51.85
H-Bond Donors ≤ 51
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 decylazanium;ethyl sulfate?
The IUPAC name of decylazanium;ethyl sulfate (CID 18691714) is decylazanium;ethyl sulfate.
What is the SMILES notation for decylazanium;ethyl sulfate?
The canonical SMILES for decylazanium;ethyl sulfate is CCCCCCCCCC[NH3+].CCOS(=O)(=O)[O-].
What is the InChIKey of decylazanium;ethyl sulfate?
The InChIKey is WETYPCHDUJTQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N.C2H6O4S/c1-2-3-4-5-6-7-8-9-10-11;1-2-6-7(3,4)5/h2-11H2,1H3;2H2,1H3,(H,3,4,5).
What are the key properties of decylazanium;ethyl sulfate?
decylazanium;ethyl sulfate has a molecular weight of 283.43 g/mol, XLogP of 1.85, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for decylazanium;ethyl sulfate is sourced from PubChem (CID 18691714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).