prop-2-enyl 2-methoxysulfonylacetate

C6H10O5S — CID 90310137

IUPACprop-2-enyl 2-methoxysulfonylacetate
SMILESC=CCOC(=O)CS(=O)(=O)OC
InChIInChI=1S/C6H10O5S/c1-3-4-11-6(7)5-12(8,9)10-2/h3H,1,4-5H2,2H3
InChIKeyLDWNPGNATGIDTN-UHFFFAOYSA-N
MW194.21 g/mol
LogP-0.31
Rot. Bonds5

About prop-2-enyl 2-methoxysulfonylacetate

prop-2-enyl 2-methoxysulfonylacetate (PubChem CID 90310137) has the molecular formula C6H10O5S and a molecular weight of 194.21 g/mol. Its IUPAC name is prop-2-enyl 2-methoxysulfonylacetate.

Molecular Properties

Compound Nameprop-2-enyl 2-methoxysulfonylacetate
PubChem CID90310137
Molecular FormulaC6H10O5S
Molecular Weight194.21 g/mol
Exact Mass194.02
IUPAC Nameprop-2-enyl 2-methoxysulfonylacetate
SMILESC=CCOC(=O)CS(=O)(=O)OC
InChIInChI=1S/C6H10O5S/c1-3-4-11-6(7)5-12(8,9)10-2/h3H,1,4-5H2,2H3
InChIKeyLDWNPGNATGIDTN-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 prop-2-enyl 2-methoxysulfonylacetate?
The IUPAC name of prop-2-enyl 2-methoxysulfonylacetate (CID 90310137) is prop-2-enyl 2-methoxysulfonylacetate.
What is the SMILES notation for prop-2-enyl 2-methoxysulfonylacetate?
The canonical SMILES for prop-2-enyl 2-methoxysulfonylacetate is C=CCOC(=O)CS(=O)(=O)OC.
What is the InChIKey of prop-2-enyl 2-methoxysulfonylacetate?
The InChIKey is LDWNPGNATGIDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O5S/c1-3-4-11-6(7)5-12(8,9)10-2/h3H,1,4-5H2,2H3.
What are the key properties of prop-2-enyl 2-methoxysulfonylacetate?
prop-2-enyl 2-methoxysulfonylacetate 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 prop-2-enyl 2-methoxysulfonylacetate is sourced from PubChem (CID 90310137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).