octyl hydrogen sulfate

C8H18O4S — CID 8885

IUPACoctyl hydrogen sulfate
SMILESCCCCCCCCOS(=O)(=O)O
InChIInChI=1S/C8H18O4S/c1-2-3-4-5-6-7-8-12-13(9,10)11/h2-8H2,1H3,(H,9,10,11)
InChIKeyUZZYXUGECOQHPU-UHFFFAOYSA-N
MW210.29 g/mol
LogP2.17
Rot. Bonds8

About octyl hydrogen sulfate

octyl hydrogen sulfate (PubChem CID 8885) has the molecular formula C8H18O4S and a molecular weight of 210.29 g/mol. Its IUPAC name is octyl hydrogen sulfate.

Molecular Properties

Compound Nameoctyl hydrogen sulfate
PubChem CID8885
Molecular FormulaC8H18O4S
Molecular Weight210.29 g/mol
Exact Mass210.09
IUPAC Nameoctyl hydrogen sulfate
SMILESCCCCCCCCOS(=O)(=O)O
InChIInChI=1S/C8H18O4S/c1-2-3-4-5-6-7-8-12-13(9,10)11/h2-8H2,1H3,(H,9,10,11)
InChIKeyUZZYXUGECOQHPU-UHFFFAOYSA-N
XLogP2.17
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.29
LogP ≤ 52.17
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
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
CID 87490204
CID 87490204

Frequently Asked Questions

What is the IUPAC name of octyl hydrogen sulfate?
The IUPAC name of octyl hydrogen sulfate (CID 8885) is octyl hydrogen sulfate.
What is the SMILES notation for octyl hydrogen sulfate?
The canonical SMILES for octyl hydrogen sulfate is CCCCCCCCOS(=O)(=O)O.
What is the InChIKey of octyl hydrogen sulfate?
The InChIKey is UZZYXUGECOQHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O4S/c1-2-3-4-5-6-7-8-12-13(9,10)11/h2-8H2,1H3,(H,9,10,11).
What are the key properties of octyl hydrogen sulfate?
octyl hydrogen sulfate has a molecular weight of 210.29 g/mol, XLogP of 2.17, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for octyl hydrogen sulfate is sourced from PubChem (CID 8885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).