2-(cyclopent-2-ene-1-carbonyloxy)ethanesulfonic acid

C8H12O5S — CID 121308555

IUPAC2-(cyclopent-2-ene-1-carbonyloxy)ethanesulfonic acid
SMILESO=C(OCCS(=O)(=O)O)C1C=CCC1
InChIInChI=1S/C8H12O5S/c9-8(7-3-1-2-4-7)13-5-6-14(10,11)12/h1,3,7H,2,4-6H2,(H,10,11,12)
InChIKeyLCXPAEUAZFBKAF-UHFFFAOYSA-N
MW220.25 g/mol
LogP0.38
Rot. Bonds4

About 2-(cyclopent-2-ene-1-carbonyloxy)ethanesulfonic acid

2-(cyclopent-2-ene-1-carbonyloxy)ethanesulfonic acid (PubChem CID 121308555) has the molecular formula C8H12O5S and a molecular weight of 220.25 g/mol. Its IUPAC name is 2-(cyclopent-2-ene-1-carbonyloxy)ethanesulfonic acid.

Molecular Properties

Compound Name2-(cyclopent-2-ene-1-carbonyloxy)ethanesulfonic acid
PubChem CID121308555
Molecular FormulaC8H12O5S
Molecular Weight220.25 g/mol
Exact Mass220.04
IUPAC Name2-(cyclopent-2-ene-1-carbonyloxy)ethanesulfonic acid
SMILESO=C(OCCS(=O)(=O)O)C1C=CCC1
InChIInChI=1S/C8H12O5S/c9-8(7-3-1-2-4-7)13-5-6-14(10,11)12/h1,3,7H,2,4-6H2,(H,10,11,12)
InChIKeyLCXPAEUAZFBKAF-UHFFFAOYSA-N
XLogP0.38
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(cyclopent-2-ene-1-carbonyloxy)ethanesulfonic acid?
The IUPAC name of 2-(cyclopent-2-ene-1-carbonyloxy)ethanesulfonic acid (CID 121308555) is 2-(cyclopent-2-ene-1-carbonyloxy)ethanesulfonic acid.
What is the SMILES notation for 2-(cyclopent-2-ene-1-carbonyloxy)ethanesulfonic acid?
The canonical SMILES for 2-(cyclopent-2-ene-1-carbonyloxy)ethanesulfonic acid is O=C(OCCS(=O)(=O)O)C1C=CCC1.
What is the InChIKey of 2-(cyclopent-2-ene-1-carbonyloxy)ethanesulfonic acid?
The InChIKey is LCXPAEUAZFBKAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O5S/c9-8(7-3-1-2-4-7)13-5-6-14(10,11)12/h1,3,7H,2,4-6H2,(H,10,11,12).
What are the key properties of 2-(cyclopent-2-ene-1-carbonyloxy)ethanesulfonic acid?
2-(cyclopent-2-ene-1-carbonyloxy)ethanesulfonic acid has a molecular weight of 220.25 g/mol, XLogP of 0.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopent-2-ene-1-carbonyloxy)ethanesulfonic acid is sourced from PubChem (CID 121308555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).