2-cyclobutylideneethanesulfonic acid

C6H10O3S — CID 115012765

IUPAC2-cyclobutylideneethanesulfonic acid
SMILESO=S(=O)(O)CC=C1CCC1
InChIInChI=1S/C6H10O3S/c7-10(8,9)5-4-6-2-1-3-6/h4H,1-3,5H2,(H,7,8,9)
InChIKeyGJUZHBCBPRVGDU-UHFFFAOYSA-N
MW162.21 g/mol
LogP0.98
Rot. Bonds2

About 2-cyclobutylideneethanesulfonic acid

2-cyclobutylideneethanesulfonic acid (PubChem CID 115012765) has the molecular formula C6H10O3S and a molecular weight of 162.21 g/mol. Its IUPAC name is 2-cyclobutylideneethanesulfonic acid.

Molecular Properties

Compound Name2-cyclobutylideneethanesulfonic acid
PubChem CID115012765
Molecular FormulaC6H10O3S
Molecular Weight162.21 g/mol
Exact Mass162.04
IUPAC Name2-cyclobutylideneethanesulfonic acid
SMILESO=S(=O)(O)CC=C1CCC1
InChIInChI=1S/C6H10O3S/c7-10(8,9)5-4-6-2-1-3-6/h4H,1-3,5H2,(H,7,8,9)
InChIKeyGJUZHBCBPRVGDU-UHFFFAOYSA-N
XLogP0.98
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.21
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutylideneethanesulfonic acid?
The IUPAC name of 2-cyclobutylideneethanesulfonic acid (CID 115012765) is 2-cyclobutylideneethanesulfonic acid.
What is the SMILES notation for 2-cyclobutylideneethanesulfonic acid?
The canonical SMILES for 2-cyclobutylideneethanesulfonic acid is O=S(=O)(O)CC=C1CCC1.
What is the InChIKey of 2-cyclobutylideneethanesulfonic acid?
The InChIKey is GJUZHBCBPRVGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3S/c7-10(8,9)5-4-6-2-1-3-6/h4H,1-3,5H2,(H,7,8,9).
What are the key properties of 2-cyclobutylideneethanesulfonic acid?
2-cyclobutylideneethanesulfonic acid has a molecular weight of 162.21 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutylideneethanesulfonic acid is sourced from PubChem (CID 115012765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).