methyl 2-prop-2-enoxysulfonylacetate

C6H10O5S — CID 90310121

IUPACmethyl 2-prop-2-enoxysulfonylacetate
SMILESC=CCOS(=O)(=O)CC(=O)OC
InChIInChI=1S/C6H10O5S/c1-3-4-11-12(8,9)5-6(7)10-2/h3H,1,4-5H2,2H3
InChIKeyVOAWMGMJQHPILY-UHFFFAOYSA-N
MW194.21 g/mol
LogP-0.31
Rot. Bonds5

About methyl 2-prop-2-enoxysulfonylacetate

methyl 2-prop-2-enoxysulfonylacetate (PubChem CID 90310121) has the molecular formula C6H10O5S and a molecular weight of 194.21 g/mol. Its IUPAC name is methyl 2-prop-2-enoxysulfonylacetate.

Molecular Properties

Compound Namemethyl 2-prop-2-enoxysulfonylacetate
PubChem CID90310121
Molecular FormulaC6H10O5S
Molecular Weight194.21 g/mol
Exact Mass194.02
IUPAC Namemethyl 2-prop-2-enoxysulfonylacetate
SMILESC=CCOS(=O)(=O)CC(=O)OC
InChIInChI=1S/C6H10O5S/c1-3-4-11-12(8,9)5-6(7)10-2/h3H,1,4-5H2,2H3
InChIKeyVOAWMGMJQHPILY-UHFFFAOYSA-N
XLogP-0.31
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.21
LogP ≤ 5-0.31
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 methyl 2-prop-2-enoxysulfonylacetate?
The IUPAC name of methyl 2-prop-2-enoxysulfonylacetate (CID 90310121) is methyl 2-prop-2-enoxysulfonylacetate.
What is the SMILES notation for methyl 2-prop-2-enoxysulfonylacetate?
The canonical SMILES for methyl 2-prop-2-enoxysulfonylacetate is C=CCOS(=O)(=O)CC(=O)OC.
What is the InChIKey of methyl 2-prop-2-enoxysulfonylacetate?
The InChIKey is VOAWMGMJQHPILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O5S/c1-3-4-11-12(8,9)5-6(7)10-2/h3H,1,4-5H2,2H3.
What are the key properties of methyl 2-prop-2-enoxysulfonylacetate?
methyl 2-prop-2-enoxysulfonylacetate has a molecular weight of 194.21 g/mol, XLogP of -0.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-prop-2-enoxysulfonylacetate is sourced from PubChem (CID 90310121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).