tetradecyl hydrogen sulfate

C14H30O4S — CID 5248

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IUPACtetradecyl hydrogen sulfate
SMILESCCCCCCCCCCCCCCOS(=O)(=O)O
InChIInChI=1S/C14H30O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-19(15,16)17/h2-14H2,1H3,(H,15,16,17)
InChIKeyURLJMZWTXZTZRR-UHFFFAOYSA-N
MW294.46 g/mol
LogP4.51
Rot. Bonds14

About tetradecyl hydrogen sulfate

tetradecyl hydrogen sulfate (PubChem CID 5248) has the molecular formula C14H30O4S and a molecular weight of 294.46 g/mol. Its IUPAC name is tetradecyl hydrogen sulfate.

Molecular Properties

Compound Nametetradecyl hydrogen sulfate
PubChem CID5248
Molecular FormulaC14H30O4S
Molecular Weight294.46 g/mol
Exact Mass294.19
IUPAC Nametetradecyl hydrogen sulfate
SMILESCCCCCCCCCCCCCCOS(=O)(=O)O
InChIInChI=1S/C14H30O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-19(15,16)17/h2-14H2,1H3,(H,15,16,17)
InChIKeyURLJMZWTXZTZRR-UHFFFAOYSA-N
XLogP4.51
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 Lauryl Sulfate
CID 3423265
Ammonium Lauryl Sulfate
CID 16700
Sodium Myristyl Sulfate
CID 23665770
Sodium Tridecyl Sulfate
CID 23668353
Lauryl sulfate
CID 8778
2-Dodecoxyethyl hydrogen sulfate
CID 24761
Sodium Decyl Sulfate
CID 23665771
Cetyl sulfate sodium salt
CID 23695542
Sodium Stearyl Sulfate
CID 23673604
Sodium nonyl sulfate
CID 23677967
CID 87490204
CID 87490204
Sodium Octyl Sulfate
CID 2735107

Frequently Asked Questions

What is the IUPAC name of tetradecyl hydrogen sulfate?
The IUPAC name of tetradecyl hydrogen sulfate (CID 5248) is tetradecyl hydrogen sulfate.
What is the SMILES notation for tetradecyl hydrogen sulfate?
The canonical SMILES for tetradecyl hydrogen sulfate is CCCCCCCCCCCCCCOS(=O)(=O)O.
What is the InChIKey of tetradecyl hydrogen sulfate?
The InChIKey is URLJMZWTXZTZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-19(15,16)17/h2-14H2,1H3,(H,15,16,17).
What are the key properties of tetradecyl hydrogen sulfate?
tetradecyl hydrogen sulfate has a molecular weight of 294.46 g/mol, XLogP of 4.51, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tetradecyl hydrogen sulfate is sourced from PubChem (CID 5248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).