ethyl 2-propylsulfonylethyl carbonate

C8H16O5S — CID 22979574

IUPACethyl 2-propylsulfonylethyl carbonate
SMILESCCCS(=O)(=O)CCOC(=O)OCC
InChIInChI=1S/C8H16O5S/c1-3-6-14(10,11)7-5-13-8(9)12-4-2/h3-7H2,1-2H3
InChIKeyLKJVQUGFGOMYPJ-UHFFFAOYSA-N
MW224.28 g/mol
LogP0.98
Rot. Bonds6

About ethyl 2-propylsulfonylethyl carbonate

ethyl 2-propylsulfonylethyl carbonate (PubChem CID 22979574) has the molecular formula C8H16O5S and a molecular weight of 224.28 g/mol. Its IUPAC name is ethyl 2-propylsulfonylethyl carbonate.

Molecular Properties

Compound Nameethyl 2-propylsulfonylethyl carbonate
PubChem CID22979574
Molecular FormulaC8H16O5S
Molecular Weight224.28 g/mol
Exact Mass224.07
IUPAC Nameethyl 2-propylsulfonylethyl carbonate
SMILESCCCS(=O)(=O)CCOC(=O)OCC
InChIInChI=1S/C8H16O5S/c1-3-6-14(10,11)7-5-13-8(9)12-4-2/h3-7H2,1-2H3
InChIKeyLKJVQUGFGOMYPJ-UHFFFAOYSA-N
XLogP0.98
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 2-propylsulfonylethyl carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-propylsulfonylethyl carbonate?
The IUPAC name of ethyl 2-propylsulfonylethyl carbonate (CID 22979574) is ethyl 2-propylsulfonylethyl carbonate.
What is the SMILES notation for ethyl 2-propylsulfonylethyl carbonate?
The canonical SMILES for ethyl 2-propylsulfonylethyl carbonate is CCCS(=O)(=O)CCOC(=O)OCC.
What is the InChIKey of ethyl 2-propylsulfonylethyl carbonate?
The InChIKey is LKJVQUGFGOMYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O5S/c1-3-6-14(10,11)7-5-13-8(9)12-4-2/h3-7H2,1-2H3.
What are the key properties of ethyl 2-propylsulfonylethyl carbonate?
ethyl 2-propylsulfonylethyl carbonate has a molecular weight of 224.28 g/mol, XLogP of 0.98, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-propylsulfonylethyl carbonate is sourced from PubChem (CID 22979574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).