2-ethylsulfonylethyl prop-2-enyl carbonate

C8H14O5S — CID 22979560

IUPAC2-ethylsulfonylethyl prop-2-enyl carbonate
SMILESC=CCOC(=O)OCCS(=O)(=O)CC
InChIInChI=1S/C8H14O5S/c1-3-5-12-8(9)13-6-7-14(10,11)4-2/h3H,1,4-7H2,2H3
InChIKeyQEKMUWUMOFYDRO-UHFFFAOYSA-N
MW222.26 g/mol
LogP0.76
Rot. Bonds6

About 2-ethylsulfonylethyl prop-2-enyl carbonate

2-ethylsulfonylethyl prop-2-enyl carbonate (PubChem CID 22979560) has the molecular formula C8H14O5S and a molecular weight of 222.26 g/mol. Its IUPAC name is 2-ethylsulfonylethyl prop-2-enyl carbonate.

Molecular Properties

Compound Name2-ethylsulfonylethyl prop-2-enyl carbonate
PubChem CID22979560
Molecular FormulaC8H14O5S
Molecular Weight222.26 g/mol
Exact Mass222.06
IUPAC Name2-ethylsulfonylethyl prop-2-enyl carbonate
SMILESC=CCOC(=O)OCCS(=O)(=O)CC
InChIInChI=1S/C8H14O5S/c1-3-5-12-8(9)13-6-7-14(10,11)4-2/h3H,1,4-7H2,2H3
InChIKeyQEKMUWUMOFYDRO-UHFFFAOYSA-N
XLogP0.76
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 50.76
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-ethylsulfonylethyl prop-2-enyl carbonate?
The IUPAC name of 2-ethylsulfonylethyl prop-2-enyl carbonate (CID 22979560) is 2-ethylsulfonylethyl prop-2-enyl carbonate.
What is the SMILES notation for 2-ethylsulfonylethyl prop-2-enyl carbonate?
The canonical SMILES for 2-ethylsulfonylethyl prop-2-enyl carbonate is C=CCOC(=O)OCCS(=O)(=O)CC.
What is the InChIKey of 2-ethylsulfonylethyl prop-2-enyl carbonate?
The InChIKey is QEKMUWUMOFYDRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O5S/c1-3-5-12-8(9)13-6-7-14(10,11)4-2/h3H,1,4-7H2,2H3.
What are the key properties of 2-ethylsulfonylethyl prop-2-enyl carbonate?
2-ethylsulfonylethyl prop-2-enyl carbonate has a molecular weight of 222.26 g/mol, XLogP of 0.76, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonylethyl prop-2-enyl carbonate is sourced from PubChem (CID 22979560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).