ethyl 2-methylsulfonyloxyprop-2-enoate

C6H10O5S — CID 122667792

IUPACethyl 2-methylsulfonyloxyprop-2-enoate
SMILESC=C(OS(C)(=O)=O)C(=O)OCC
InChIInChI=1S/C6H10O5S/c1-4-10-6(7)5(2)11-12(3,8)9/h2,4H2,1,3H3
InChIKeySXPVDGWCUNHIGU-UHFFFAOYSA-N
MW194.21 g/mol
LogP0.04
Rot. Bonds4

About ethyl 2-methylsulfonyloxyprop-2-enoate

ethyl 2-methylsulfonyloxyprop-2-enoate (PubChem CID 122667792) has the molecular formula C6H10O5S and a molecular weight of 194.21 g/mol. Its IUPAC name is ethyl 2-methylsulfonyloxyprop-2-enoate.

Molecular Properties

Compound Nameethyl 2-methylsulfonyloxyprop-2-enoate
PubChem CID122667792
Molecular FormulaC6H10O5S
Molecular Weight194.21 g/mol
Exact Mass194.02
IUPAC Nameethyl 2-methylsulfonyloxyprop-2-enoate
SMILESC=C(OS(C)(=O)=O)C(=O)OCC
InChIInChI=1S/C6H10O5S/c1-4-10-6(7)5(2)11-12(3,8)9/h2,4H2,1,3H3
InChIKeySXPVDGWCUNHIGU-UHFFFAOYSA-N
XLogP0.04
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.21
LogP ≤ 50.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', '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-methylsulfonyloxyprop-2-enoate?
The IUPAC name of ethyl 2-methylsulfonyloxyprop-2-enoate (CID 122667792) is ethyl 2-methylsulfonyloxyprop-2-enoate.
What is the SMILES notation for ethyl 2-methylsulfonyloxyprop-2-enoate?
The canonical SMILES for ethyl 2-methylsulfonyloxyprop-2-enoate is C=C(OS(C)(=O)=O)C(=O)OCC.
What is the InChIKey of ethyl 2-methylsulfonyloxyprop-2-enoate?
The InChIKey is SXPVDGWCUNHIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O5S/c1-4-10-6(7)5(2)11-12(3,8)9/h2,4H2,1,3H3.
What are the key properties of ethyl 2-methylsulfonyloxyprop-2-enoate?
ethyl 2-methylsulfonyloxyprop-2-enoate has a molecular weight of 194.21 g/mol, XLogP of 0.04, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methylsulfonyloxyprop-2-enoate is sourced from PubChem (CID 122667792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).