[(E)-3-methylsulfonylprop-2-enyl] acetate

C6H10O4S — CID 11423900

IUPAC[(E)-3-methylsulfonylprop-2-enyl] acetate
SMILESCC(=O)OC/C=C/S(C)(=O)=O
InChIInChI=1S/C6H10O4S/c1-6(7)10-4-3-5-11(2,8)9/h3,5H,4H2,1-2H3/b5-3+
InChIKeyKMUJKZAILNPRBI-HWKANZROSA-N
MW178.21 g/mol
LogP0.11
Rot. Bonds3

About [(E)-3-methylsulfonylprop-2-enyl] acetate

[(E)-3-methylsulfonylprop-2-enyl] acetate (PubChem CID 11423900) has the molecular formula C6H10O4S and a molecular weight of 178.21 g/mol. Its IUPAC name is [(E)-3-methylsulfonylprop-2-enyl] acetate.

Molecular Properties

Compound Name[(E)-3-methylsulfonylprop-2-enyl] acetate
PubChem CID11423900
Molecular FormulaC6H10O4S
Molecular Weight178.21 g/mol
Exact Mass178.03
IUPAC Name[(E)-3-methylsulfonylprop-2-enyl] acetate
SMILESCC(=O)OC/C=C/S(C)(=O)=O
InChIInChI=1S/C6H10O4S/c1-6(7)10-4-3-5-11(2,8)9/h3,5H,4H2,1-2H3/b5-3+
InChIKeyKMUJKZAILNPRBI-HWKANZROSA-N
XLogP0.11
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.21
LogP ≤ 50.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(E)-3-methylsulfonylprop-2-enyl] acetate?
The IUPAC name of [(E)-3-methylsulfonylprop-2-enyl] acetate (CID 11423900) is [(E)-3-methylsulfonylprop-2-enyl] acetate.
What is the SMILES notation for [(E)-3-methylsulfonylprop-2-enyl] acetate?
The canonical SMILES for [(E)-3-methylsulfonylprop-2-enyl] acetate is CC(=O)OC/C=C/S(C)(=O)=O.
What is the InChIKey of [(E)-3-methylsulfonylprop-2-enyl] acetate?
The InChIKey is KMUJKZAILNPRBI-HWKANZROSA-N. The full InChI is InChI=1S/C6H10O4S/c1-6(7)10-4-3-5-11(2,8)9/h3,5H,4H2,1-2H3/b5-3+.
What are the key properties of [(E)-3-methylsulfonylprop-2-enyl] acetate?
[(E)-3-methylsulfonylprop-2-enyl] acetate has a molecular weight of 178.21 g/mol, XLogP of 0.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-methylsulfonylprop-2-enyl] acetate is sourced from PubChem (CID 11423900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).