[4-(oxan-2-yloxy)cyclopent-2-en-1-yl] methanesulfonate

C11H18O5S — CID 19047295

IUPAC[4-(oxan-2-yloxy)cyclopent-2-en-1-yl] methanesulfonate
SMILESCS(=O)(=O)OC1C=CC(OC2CCCCO2)C1
InChIInChI=1S/C11H18O5S/c1-17(12,13)16-10-6-5-9(8-10)15-11-4-2-3-7-14-11/h5-6,9-11H,2-4,7-8H2,1H3
InChIKeyBMXYPLPCGBEWJX-UHFFFAOYSA-N
MW262.33 g/mol
LogP1.20
Rot. Bonds4

About [4-(oxan-2-yloxy)cyclopent-2-en-1-yl] methanesulfonate

[4-(oxan-2-yloxy)cyclopent-2-en-1-yl] methanesulfonate (PubChem CID 19047295) has the molecular formula C11H18O5S and a molecular weight of 262.33 g/mol. Its IUPAC name is [4-(oxan-2-yloxy)cyclopent-2-en-1-yl] methanesulfonate.

Molecular Properties

Compound Name[4-(oxan-2-yloxy)cyclopent-2-en-1-yl] methanesulfonate
PubChem CID19047295
Molecular FormulaC11H18O5S
Molecular Weight262.33 g/mol
Exact Mass262.09
IUPAC Name[4-(oxan-2-yloxy)cyclopent-2-en-1-yl] methanesulfonate
SMILESCS(=O)(=O)OC1C=CC(OC2CCCCO2)C1
InChIInChI=1S/C11H18O5S/c1-17(12,13)16-10-6-5-9(8-10)15-11-4-2-3-7-14-11/h5-6,9-11H,2-4,7-8H2,1H3
InChIKeyBMXYPLPCGBEWJX-UHFFFAOYSA-N
XLogP1.20
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze [4-(oxan-2-yloxy)cyclopent-2-en-1-yl] methanesulfonate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(oxan-2-yloxy)cyclopent-2-en-1-yl] methanesulfonate?
The IUPAC name of [4-(oxan-2-yloxy)cyclopent-2-en-1-yl] methanesulfonate (CID 19047295) is [4-(oxan-2-yloxy)cyclopent-2-en-1-yl] methanesulfonate.
What is the SMILES notation for [4-(oxan-2-yloxy)cyclopent-2-en-1-yl] methanesulfonate?
The canonical SMILES for [4-(oxan-2-yloxy)cyclopent-2-en-1-yl] methanesulfonate is CS(=O)(=O)OC1C=CC(OC2CCCCO2)C1.
What is the InChIKey of [4-(oxan-2-yloxy)cyclopent-2-en-1-yl] methanesulfonate?
The InChIKey is BMXYPLPCGBEWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O5S/c1-17(12,13)16-10-6-5-9(8-10)15-11-4-2-3-7-14-11/h5-6,9-11H,2-4,7-8H2,1H3.
What are the key properties of [4-(oxan-2-yloxy)cyclopent-2-en-1-yl] methanesulfonate?
[4-(oxan-2-yloxy)cyclopent-2-en-1-yl] methanesulfonate has a molecular weight of 262.33 g/mol, XLogP of 1.20, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(oxan-2-yloxy)cyclopent-2-en-1-yl] methanesulfonate is sourced from PubChem (CID 19047295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).