cyclohexene-1-sulfonic acid

C6H10O3S — CID 15209716

IUPACcyclohexene-1-sulfonic acid
SMILESO=S(=O)(O)C1=CCCCC1
InChIInChI=1S/C6H10O3S/c7-10(8,9)6-4-2-1-3-5-6/h4H,1-3,5H2,(H,7,8,9)
InChIKeyBAYVBPQZKYSHDL-UHFFFAOYSA-N
MW162.21 g/mol
LogP1.33
Rot. Bonds1

About cyclohexene-1-sulfonic acid

cyclohexene-1-sulfonic acid (PubChem CID 15209716) has the molecular formula C6H10O3S and a molecular weight of 162.21 g/mol. Its IUPAC name is cyclohexene-1-sulfonic acid.

Molecular Properties

Compound Namecyclohexene-1-sulfonic acid
PubChem CID15209716
Molecular FormulaC6H10O3S
Molecular Weight162.21 g/mol
Exact Mass162.04
IUPAC Namecyclohexene-1-sulfonic acid
SMILESO=S(=O)(O)C1=CCCCC1
InChIInChI=1S/C6H10O3S/c7-10(8,9)6-4-2-1-3-5-6/h4H,1-3,5H2,(H,7,8,9)
InChIKeyBAYVBPQZKYSHDL-UHFFFAOYSA-N
XLogP1.33
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.21
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclohexene-1-sulfonic acid?
The IUPAC name of cyclohexene-1-sulfonic acid (CID 15209716) is cyclohexene-1-sulfonic acid.
What is the SMILES notation for cyclohexene-1-sulfonic acid?
The canonical SMILES for cyclohexene-1-sulfonic acid is O=S(=O)(O)C1=CCCCC1.
What is the InChIKey of cyclohexene-1-sulfonic acid?
The InChIKey is BAYVBPQZKYSHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3S/c7-10(8,9)6-4-2-1-3-5-6/h4H,1-3,5H2,(H,7,8,9).
What are the key properties of cyclohexene-1-sulfonic acid?
cyclohexene-1-sulfonic acid has a molecular weight of 162.21 g/mol, XLogP of 1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexene-1-sulfonic acid is sourced from PubChem (CID 15209716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).