dodecyl hydrogen sulfate

C12H26O4S — CID 8778

IUPACdodecyl hydrogen sulfate
SMILESCCCCCCCCCCCCOS(=O)(=O)O
InChIInChI=1S/C12H26O4S/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15/h2-12H2,1H3,(H,13,14,15)
InChIKeyMOTZDAYCYVMXPC-UHFFFAOYSA-N
MW266.40 g/mol
LogP3.73
Rot. Bonds12

About dodecyl hydrogen sulfate

dodecyl hydrogen sulfate (PubChem CID 8778) has the molecular formula C12H26O4S and a molecular weight of 266.40 g/mol. Its IUPAC name is dodecyl hydrogen sulfate.

Molecular Properties

Compound Namedodecyl hydrogen sulfate
PubChem CID8778
Molecular FormulaC12H26O4S
Molecular Weight266.40 g/mol
Exact Mass266.16
IUPAC Namedodecyl hydrogen sulfate
SMILESCCCCCCCCCCCCOS(=O)(=O)O
InChIInChI=1S/C12H26O4S/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15/h2-12H2,1H3,(H,13,14,15)
InChIKeyMOTZDAYCYVMXPC-UHFFFAOYSA-N
XLogP3.73
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.40
LogP ≤ 53.73
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
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
Sodium Octyl Sulfate
CID 2735107
CID 87490204
CID 87490204
Myristyl sulfate
CID 5248

Frequently Asked Questions

What is the IUPAC name of dodecyl hydrogen sulfate?
The IUPAC name of dodecyl hydrogen sulfate (CID 8778) is dodecyl hydrogen sulfate.
What is the SMILES notation for dodecyl hydrogen sulfate?
The canonical SMILES for dodecyl hydrogen sulfate is CCCCCCCCCCCCOS(=O)(=O)O.
What is the InChIKey of dodecyl hydrogen sulfate?
The InChIKey is MOTZDAYCYVMXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O4S/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15/h2-12H2,1H3,(H,13,14,15).
What are the key properties of dodecyl hydrogen sulfate?
dodecyl hydrogen sulfate has a molecular weight of 266.40 g/mol, XLogP of 3.73, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dodecyl hydrogen sulfate is sourced from PubChem (CID 8778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).