ethoxyethane;3-prop-2-enylsulfonylprop-1-ene

C10H20O3S — CID 87616046

IUPACethoxyethane;3-prop-2-enylsulfonylprop-1-ene
SMILESC=CCS(=O)(=O)CC=C.CCOCC
InChIInChI=1S/C6H10O2S.C4H10O/c1-3-5-9(7,8)6-4-2;1-3-5-4-2/h3-4H,1-2,5-6H2;3-4H2,1-2H3
InChIKeyFLCCWSJAUFCNOW-UHFFFAOYSA-N
MW220.33 g/mol
LogP1.82
Rot. Bonds6

About ethoxyethane;3-prop-2-enylsulfonylprop-1-ene

ethoxyethane;3-prop-2-enylsulfonylprop-1-ene (PubChem CID 87616046) has the molecular formula C10H20O3S and a molecular weight of 220.33 g/mol. Its IUPAC name is ethoxyethane;3-prop-2-enylsulfonylprop-1-ene.

Molecular Properties

Compound Nameethoxyethane;3-prop-2-enylsulfonylprop-1-ene
PubChem CID87616046
Molecular FormulaC10H20O3S
Molecular Weight220.33 g/mol
Exact Mass220.11
IUPAC Nameethoxyethane;3-prop-2-enylsulfonylprop-1-ene
SMILESC=CCS(=O)(=O)CC=C.CCOCC
InChIInChI=1S/C6H10O2S.C4H10O/c1-3-5-9(7,8)6-4-2;1-3-5-4-2/h3-4H,1-2,5-6H2;3-4H2,1-2H3
InChIKeyFLCCWSJAUFCNOW-UHFFFAOYSA-N
XLogP1.82
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.33
LogP ≤ 51.82
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-prop-2-enylsulfonylprop-1-ene?
The IUPAC name of ethoxyethane;3-prop-2-enylsulfonylprop-1-ene (CID 87616046) is ethoxyethane;3-prop-2-enylsulfonylprop-1-ene.
What is the SMILES notation for ethoxyethane;3-prop-2-enylsulfonylprop-1-ene?
The canonical SMILES for ethoxyethane;3-prop-2-enylsulfonylprop-1-ene is C=CCS(=O)(=O)CC=C.CCOCC.
What is the InChIKey of ethoxyethane;3-prop-2-enylsulfonylprop-1-ene?
The InChIKey is FLCCWSJAUFCNOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2S.C4H10O/c1-3-5-9(7,8)6-4-2;1-3-5-4-2/h3-4H,1-2,5-6H2;3-4H2,1-2H3.
What are the key properties of ethoxyethane;3-prop-2-enylsulfonylprop-1-ene?
ethoxyethane;3-prop-2-enylsulfonylprop-1-ene has a molecular weight of 220.33 g/mol, XLogP of 1.82, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxyethane;3-prop-2-enylsulfonylprop-1-ene is sourced from PubChem (CID 87616046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).