ethyl 2-(cyclopenten-1-yl)-2-methylsulfonyloxyacetate

C10H16O5S — CID 15070290

IUPACethyl 2-(cyclopenten-1-yl)-2-methylsulfonyloxyacetate
SMILESCCOC(=O)C(OS(C)(=O)=O)C1=CCCC1
InChIInChI=1S/C10H16O5S/c1-3-14-10(11)9(15-16(2,12)13)8-6-4-5-7-8/h6,9H,3-5,7H2,1-2H3
InChIKeyNVEARPPHVWLNSO-UHFFFAOYSA-N
MW248.30 g/mol
LogP1.00
Rot. Bonds5

About ethyl 2-(cyclopenten-1-yl)-2-methylsulfonyloxyacetate

ethyl 2-(cyclopenten-1-yl)-2-methylsulfonyloxyacetate (PubChem CID 15070290) has the molecular formula C10H16O5S and a molecular weight of 248.30 g/mol. Its IUPAC name is ethyl 2-(cyclopenten-1-yl)-2-methylsulfonyloxyacetate.

Molecular Properties

Compound Nameethyl 2-(cyclopenten-1-yl)-2-methylsulfonyloxyacetate
PubChem CID15070290
Molecular FormulaC10H16O5S
Molecular Weight248.30 g/mol
Exact Mass248.07
IUPAC Nameethyl 2-(cyclopenten-1-yl)-2-methylsulfonyloxyacetate
SMILESCCOC(=O)C(OS(C)(=O)=O)C1=CCCC1
InChIInChI=1S/C10H16O5S/c1-3-14-10(11)9(15-16(2,12)13)8-6-4-5-7-8/h6,9H,3-5,7H2,1-2H3
InChIKeyNVEARPPHVWLNSO-UHFFFAOYSA-N
XLogP1.00
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 51.00
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'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(cyclopenten-1-yl)-2-methylsulfonyloxyacetate?
The IUPAC name of ethyl 2-(cyclopenten-1-yl)-2-methylsulfonyloxyacetate (CID 15070290) is ethyl 2-(cyclopenten-1-yl)-2-methylsulfonyloxyacetate.
What is the SMILES notation for ethyl 2-(cyclopenten-1-yl)-2-methylsulfonyloxyacetate?
The canonical SMILES for ethyl 2-(cyclopenten-1-yl)-2-methylsulfonyloxyacetate is CCOC(=O)C(OS(C)(=O)=O)C1=CCCC1.
What is the InChIKey of ethyl 2-(cyclopenten-1-yl)-2-methylsulfonyloxyacetate?
The InChIKey is NVEARPPHVWLNSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O5S/c1-3-14-10(11)9(15-16(2,12)13)8-6-4-5-7-8/h6,9H,3-5,7H2,1-2H3.
What are the key properties of ethyl 2-(cyclopenten-1-yl)-2-methylsulfonyloxyacetate?
ethyl 2-(cyclopenten-1-yl)-2-methylsulfonyloxyacetate has a molecular weight of 248.30 g/mol, XLogP of 1.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(cyclopenten-1-yl)-2-methylsulfonyloxyacetate is sourced from PubChem (CID 15070290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).