2-dodecoxyethyl hydrogen sulfate

C14H30O5S — CID 24761

IUPAC2-dodecoxyethyl hydrogen sulfate
SMILESCCCCCCCCCCCCOCCOS(=O)(=O)O
InChIInChI=1S/C14H30O5S/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)
InChIKeyQTDIEDOANJISNP-UHFFFAOYSA-N
MW310.46 g/mol
LogP3.74
Rot. Bonds15

About 2-dodecoxyethyl hydrogen sulfate

2-dodecoxyethyl hydrogen sulfate (PubChem CID 24761) has the molecular formula C14H30O5S and a molecular weight of 310.46 g/mol. Its IUPAC name is 2-dodecoxyethyl hydrogen sulfate.

Molecular Properties

Compound Name2-dodecoxyethyl hydrogen sulfate
PubChem CID24761
Molecular FormulaC14H30O5S
Molecular Weight310.46 g/mol
Exact Mass310.18
IUPAC Name2-dodecoxyethyl hydrogen sulfate
SMILESCCCCCCCCCCCCOCCOS(=O)(=O)O
InChIInChI=1S/C14H30O5S/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)
InChIKeyQTDIEDOANJISNP-UHFFFAOYSA-N
XLogP3.74
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 53.74
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'}

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Related Compounds

Sodium laureth sulfate
CID 23665884
Lauryl sulfate
CID 8778
CID 87490204
CID 87490204
CID 134813725
CID 134813725
Sodium Laureth-3 Sulfate
CID 23674622
Myristyl sulfate
CID 5248
Ammonium Laureth Sulfate
CID 61913
Diethylene glycol monolauryl ether sodium sulfate
CID 23682204
dodecyl sulfate, (sodium salt)
CID 21909502
Sulfuric acid, monooctyl ester
CID 8885
Sodium Myreth Sulfate
CID 23682189
Sodium;2-dodecoxyethyl hydrogen sulfate;methane
CID 132987661

Frequently Asked Questions

What is the IUPAC name of 2-dodecoxyethyl hydrogen sulfate?
The IUPAC name of 2-dodecoxyethyl hydrogen sulfate (CID 24761) is 2-dodecoxyethyl hydrogen sulfate.
What is the SMILES notation for 2-dodecoxyethyl hydrogen sulfate?
The canonical SMILES for 2-dodecoxyethyl hydrogen sulfate is CCCCCCCCCCCCOCCOS(=O)(=O)O.
What is the InChIKey of 2-dodecoxyethyl hydrogen sulfate?
The InChIKey is QTDIEDOANJISNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O5S/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).
What are the key properties of 2-dodecoxyethyl hydrogen sulfate?
2-dodecoxyethyl hydrogen sulfate has a molecular weight of 310.46 g/mol, XLogP of 3.74, 15 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dodecoxyethyl hydrogen sulfate is sourced from PubChem (CID 24761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).