octadecyl hydrogen sulfate

C18H38O4S — CID 8912

IUPACoctadecyl hydrogen sulfate
SMILESCCCCCCCCCCCCCCCCCCOS(=O)(=O)O
InChIInChI=1S/C18H38O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(19,20)21/h2-18H2,1H3,(H,19,20,21)
InChIKeyHVWGGPRWKSHASF-UHFFFAOYSA-N
MW350.57 g/mol
LogP6.07
Rot. Bonds18

About octadecyl hydrogen sulfate

octadecyl hydrogen sulfate (PubChem CID 8912) has the molecular formula C18H38O4S and a molecular weight of 350.57 g/mol. Its IUPAC name is octadecyl hydrogen sulfate.

Molecular Properties

Compound Nameoctadecyl hydrogen sulfate
PubChem CID8912
Molecular FormulaC18H38O4S
Molecular Weight350.57 g/mol
Exact Mass350.25
IUPAC Nameoctadecyl hydrogen sulfate
SMILESCCCCCCCCCCCCCCCCCCOS(=O)(=O)O
InChIInChI=1S/C18H38O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(19,20)21/h2-18H2,1H3,(H,19,20,21)
InChIKeyHVWGGPRWKSHASF-UHFFFAOYSA-N
XLogP6.07
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.57
LogP ≤ 56.07
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'}

Analyze octadecyl hydrogen sulfate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Sodium Lauryl Sulfate
CID 3423265
Sodium Myristyl Sulfate
CID 23665770
Sodium Tridecyl Sulfate
CID 23668353
Lauryl sulfate
CID 8778
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
Myristyl sulfate
CID 5248
Lithium dodecyl sulphate
CID 2735071
Dodecyl sulfate, magnesium salt
CID 10415276

Frequently Asked Questions

What is the IUPAC name of octadecyl hydrogen sulfate?
The IUPAC name of octadecyl hydrogen sulfate (CID 8912) is octadecyl hydrogen sulfate.
What is the SMILES notation for octadecyl hydrogen sulfate?
The canonical SMILES for octadecyl hydrogen sulfate is CCCCCCCCCCCCCCCCCCOS(=O)(=O)O.
What is the InChIKey of octadecyl hydrogen sulfate?
The InChIKey is HVWGGPRWKSHASF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(19,20)21/h2-18H2,1H3,(H,19,20,21).
What are the key properties of octadecyl hydrogen sulfate?
octadecyl hydrogen sulfate has a molecular weight of 350.57 g/mol, XLogP of 6.07, 18 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for octadecyl hydrogen sulfate is sourced from PubChem (CID 8912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).