ethoxyethane;3-methylsulfonylprop-1-ene

C8H18O3S — CID 174719328

IUPACethoxyethane;3-methylsulfonylprop-1-ene
SMILESC=CCS(C)(=O)=O.CCOCC
InChIInChI=1S/C4H8O2S.C4H10O/c1-3-4-7(2,5)6;1-3-5-4-2/h3H,1,4H2,2H3;3-4H2,1-2H3
InChIKeyZAFNYHCWTKOSQH-UHFFFAOYSA-N
MW194.30 g/mol
LogP1.26
Rot. Bonds4

About ethoxyethane;3-methylsulfonylprop-1-ene

ethoxyethane;3-methylsulfonylprop-1-ene (PubChem CID 174719328) has the molecular formula C8H18O3S and a molecular weight of 194.30 g/mol. Its IUPAC name is ethoxyethane;3-methylsulfonylprop-1-ene.

Molecular Properties

Compound Nameethoxyethane;3-methylsulfonylprop-1-ene
PubChem CID174719328
Molecular FormulaC8H18O3S
Molecular Weight194.30 g/mol
Exact Mass194.10
IUPAC Nameethoxyethane;3-methylsulfonylprop-1-ene
SMILESC=CCS(C)(=O)=O.CCOCC
InChIInChI=1S/C4H8O2S.C4H10O/c1-3-4-7(2,5)6;1-3-5-4-2/h3H,1,4H2,2H3;3-4H2,1-2H3
InChIKeyZAFNYHCWTKOSQH-UHFFFAOYSA-N
XLogP1.26
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 ethoxyethane;3-methylsulfonylprop-1-ene?
The IUPAC name of ethoxyethane;3-methylsulfonylprop-1-ene (CID 174719328) is ethoxyethane;3-methylsulfonylprop-1-ene.
What is the SMILES notation for ethoxyethane;3-methylsulfonylprop-1-ene?
The canonical SMILES for ethoxyethane;3-methylsulfonylprop-1-ene is C=CCS(C)(=O)=O.CCOCC.
What is the InChIKey of ethoxyethane;3-methylsulfonylprop-1-ene?
The InChIKey is ZAFNYHCWTKOSQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2S.C4H10O/c1-3-4-7(2,5)6;1-3-5-4-2/h3H,1,4H2,2H3;3-4H2,1-2H3.
What are the key properties of ethoxyethane;3-methylsulfonylprop-1-ene?
ethoxyethane;3-methylsulfonylprop-1-ene has a molecular weight of 194.30 g/mol, XLogP of 1.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxyethane;3-methylsulfonylprop-1-ene is sourced from PubChem (CID 174719328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).