4-(1-ethylsulfonylprop-1-en-2-yl)oxane

C10H18O3S — CID 123525487

IUPAC4-(1-ethylsulfonylprop-1-en-2-yl)oxane
SMILESCCS(=O)(=O)C=C(C)C1CCOCC1
InChIInChI=1S/C10H18O3S/c1-3-14(11,12)8-9(2)10-4-6-13-7-5-10/h8,10H,3-7H2,1-2H3
InChIKeyPVJJHMFIHJAJAC-UHFFFAOYSA-N
MW218.32 g/mol
LogP1.75
Rot. Bonds3

About 4-(1-ethylsulfonylprop-1-en-2-yl)oxane

4-(1-ethylsulfonylprop-1-en-2-yl)oxane (PubChem CID 123525487) has the molecular formula C10H18O3S and a molecular weight of 218.32 g/mol. Its IUPAC name is 4-(1-ethylsulfonylprop-1-en-2-yl)oxane.

Molecular Properties

Compound Name4-(1-ethylsulfonylprop-1-en-2-yl)oxane
PubChem CID123525487
Molecular FormulaC10H18O3S
Molecular Weight218.32 g/mol
Exact Mass218.10
IUPAC Name4-(1-ethylsulfonylprop-1-en-2-yl)oxane
SMILESCCS(=O)(=O)C=C(C)C1CCOCC1
InChIInChI=1S/C10H18O3S/c1-3-14(11,12)8-9(2)10-4-6-13-7-5-10/h8,10H,3-7H2,1-2H3
InChIKeyPVJJHMFIHJAJAC-UHFFFAOYSA-N
XLogP1.75
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(1-ethylsulfonylprop-1-en-2-yl)oxane 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 4-(1-ethylsulfonylprop-1-en-2-yl)oxane?
The IUPAC name of 4-(1-ethylsulfonylprop-1-en-2-yl)oxane (CID 123525487) is 4-(1-ethylsulfonylprop-1-en-2-yl)oxane.
What is the SMILES notation for 4-(1-ethylsulfonylprop-1-en-2-yl)oxane?
The canonical SMILES for 4-(1-ethylsulfonylprop-1-en-2-yl)oxane is CCS(=O)(=O)C=C(C)C1CCOCC1.
What is the InChIKey of 4-(1-ethylsulfonylprop-1-en-2-yl)oxane?
The InChIKey is PVJJHMFIHJAJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3S/c1-3-14(11,12)8-9(2)10-4-6-13-7-5-10/h8,10H,3-7H2,1-2H3.
What are the key properties of 4-(1-ethylsulfonylprop-1-en-2-yl)oxane?
4-(1-ethylsulfonylprop-1-en-2-yl)oxane has a molecular weight of 218.32 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethylsulfonylprop-1-en-2-yl)oxane is sourced from PubChem (CID 123525487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).