2-methylsulfonylethyl prop-2-enyl carbonate

C7H12O5S — CID 22979561

IUPAC2-methylsulfonylethyl prop-2-enyl carbonate
SMILESC=CCOC(=O)OCCS(C)(=O)=O
InChIInChI=1S/C7H12O5S/c1-3-4-11-7(8)12-5-6-13(2,9)10/h3H,1,4-6H2,2H3
InChIKeyJUIAAZOLNMIVLY-UHFFFAOYSA-N
MW208.23 g/mol
LogP0.37
Rot. Bonds5

About 2-methylsulfonylethyl prop-2-enyl carbonate

2-methylsulfonylethyl prop-2-enyl carbonate (PubChem CID 22979561) has the molecular formula C7H12O5S and a molecular weight of 208.23 g/mol. Its IUPAC name is 2-methylsulfonylethyl prop-2-enyl carbonate.

Molecular Properties

Compound Name2-methylsulfonylethyl prop-2-enyl carbonate
PubChem CID22979561
Molecular FormulaC7H12O5S
Molecular Weight208.23 g/mol
Exact Mass208.04
IUPAC Name2-methylsulfonylethyl prop-2-enyl carbonate
SMILESC=CCOC(=O)OCCS(C)(=O)=O
InChIInChI=1S/C7H12O5S/c1-3-4-11-7(8)12-5-6-13(2,9)10/h3H,1,4-6H2,2H3
InChIKeyJUIAAZOLNMIVLY-UHFFFAOYSA-N
XLogP0.37
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.23
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonylethyl prop-2-enyl carbonate?
The IUPAC name of 2-methylsulfonylethyl prop-2-enyl carbonate (CID 22979561) is 2-methylsulfonylethyl prop-2-enyl carbonate.
What is the SMILES notation for 2-methylsulfonylethyl prop-2-enyl carbonate?
The canonical SMILES for 2-methylsulfonylethyl prop-2-enyl carbonate is C=CCOC(=O)OCCS(C)(=O)=O.
What is the InChIKey of 2-methylsulfonylethyl prop-2-enyl carbonate?
The InChIKey is JUIAAZOLNMIVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O5S/c1-3-4-11-7(8)12-5-6-13(2,9)10/h3H,1,4-6H2,2H3.
What are the key properties of 2-methylsulfonylethyl prop-2-enyl carbonate?
2-methylsulfonylethyl prop-2-enyl carbonate has a molecular weight of 208.23 g/mol, XLogP of 0.37, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonylethyl prop-2-enyl carbonate is sourced from PubChem (CID 22979561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).