sodium;azane;2-dodecoxyethyl hydrogen sulfate

C14H33NNaO5S+ — CID 134813725

IUPACsodium;azane;2-dodecoxyethyl hydrogen sulfate
SMILESCCCCCCCCCCCCOCCOS(=O)(=O)O.N.[Na+]
InChIInChI=1S/C14H30O5S.H3N.Na/c1-2-3-4-5-6-7-8-9-10-11-12-18-13-14-19-20(15,16)17;;/h2-14H2,1H3,(H,15,16,17);1H3;/q;;+1
InChIKeyXGHIRGCUJUQKNA-UHFFFAOYSA-N
MW350.48 g/mol
LogP0.91
Rot. Bonds15

About sodium;azane;2-dodecoxyethyl hydrogen sulfate

sodium;azane;2-dodecoxyethyl hydrogen sulfate (PubChem CID 134813725) has the molecular formula C14H33NNaO5S+ and a molecular weight of 350.48 g/mol. Its IUPAC name is sodium;azane;2-dodecoxyethyl hydrogen sulfate.

Molecular Properties

Compound Namesodium;azane;2-dodecoxyethyl hydrogen sulfate
PubChem CID134813725
Molecular FormulaC14H33NNaO5S+
Molecular Weight350.48 g/mol
Exact Mass350.20
IUPAC Namesodium;azane;2-dodecoxyethyl hydrogen sulfate
SMILESCCCCCCCCCCCCOCCOS(=O)(=O)O.N.[Na+]
InChIInChI=1S/C14H30O5S.H3N.Na/c1-2-3-4-5-6-7-8-9-10-11-12-18-13-14-19-20(15,16)17;;/h2-14H2,1H3,(H,15,16,17);1H3;/q;;+1
InChIKeyXGHIRGCUJUQKNA-UHFFFAOYSA-N
XLogP0.91
TPSA107.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.48
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

Sodium laureth sulfate
CID 23665884
CID 87490204
CID 87490204
2-Dodecoxyethyl hydrogen sulfate
CID 24761
Sodium Laureth-3 Sulfate
CID 23674622
Ammonium Laureth Sulfate
CID 61913
Diethylene glycol monolauryl ether sodium sulfate
CID 23682204
Sodium;azane;2-dodecoxyethyl sulfate
CID 155973928
Sodium Myreth Sulfate
CID 23682189
Sodium;2-dodecoxyethyl hydrogen sulfate;methane
CID 132987661
Ammonium Myreth Sulfate
CID 5463960
Ammonium Myristyl Sulfate
CID 104149
Ethanol, 2-(2-(2-(tridecyloxy)ethoxy)ethoxy)-, hydrogen sulfate, sodium salt
CID 23668601

Frequently Asked Questions

What is the IUPAC name of sodium;azane;2-dodecoxyethyl hydrogen sulfate?
The IUPAC name of sodium;azane;2-dodecoxyethyl hydrogen sulfate (CID 134813725) is sodium;azane;2-dodecoxyethyl hydrogen sulfate.
What is the SMILES notation for sodium;azane;2-dodecoxyethyl hydrogen sulfate?
The canonical SMILES for sodium;azane;2-dodecoxyethyl hydrogen sulfate is CCCCCCCCCCCCOCCOS(=O)(=O)O.N.[Na+].
What is the InChIKey of sodium;azane;2-dodecoxyethyl hydrogen sulfate?
The InChIKey is XGHIRGCUJUQKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O5S.H3N.Na/c1-2-3-4-5-6-7-8-9-10-11-12-18-13-14-19-20(15,16)17;;/h2-14H2,1H3,(H,15,16,17);1H3;/q;;+1.
What are the key properties of sodium;azane;2-dodecoxyethyl hydrogen sulfate?
sodium;azane;2-dodecoxyethyl hydrogen sulfate has a molecular weight of 350.48 g/mol, XLogP of 0.91, 15 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;azane;2-dodecoxyethyl hydrogen sulfate is sourced from PubChem (CID 134813725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).