1-but-2-enylsulfonylbut-2-ene

C8H14O2S — CID 54025944

IUPAC1-but-2-enylsulfonylbut-2-ene
SMILESCC=CCS(=O)(=O)CC=CC
InChIInChI=1S/C8H14O2S/c1-3-5-7-11(9,10)8-6-4-2/h3-6H,7-8H2,1-2H3
InChIKeyLCEICEZGGWIPRS-UHFFFAOYSA-N
MW174.26 g/mol
LogP1.55
Rot. Bonds4

About 1-but-2-enylsulfonylbut-2-ene

1-but-2-enylsulfonylbut-2-ene (PubChem CID 54025944) has the molecular formula C8H14O2S and a molecular weight of 174.26 g/mol. Its IUPAC name is 1-but-2-enylsulfonylbut-2-ene.

Molecular Properties

Compound Name1-but-2-enylsulfonylbut-2-ene
PubChem CID54025944
Molecular FormulaC8H14O2S
Molecular Weight174.26 g/mol
Exact Mass174.07
IUPAC Name1-but-2-enylsulfonylbut-2-ene
SMILESCC=CCS(=O)(=O)CC=CC
InChIInChI=1S/C8H14O2S/c1-3-5-7-11(9,10)8-6-4-2/h3-6H,7-8H2,1-2H3
InChIKeyLCEICEZGGWIPRS-UHFFFAOYSA-N
XLogP1.55
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.26
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1-but-2-enylsulfonylbut-2-ene?
The IUPAC name of 1-but-2-enylsulfonylbut-2-ene (CID 54025944) is 1-but-2-enylsulfonylbut-2-ene.
What is the SMILES notation for 1-but-2-enylsulfonylbut-2-ene?
The canonical SMILES for 1-but-2-enylsulfonylbut-2-ene is CC=CCS(=O)(=O)CC=CC.
What is the InChIKey of 1-but-2-enylsulfonylbut-2-ene?
The InChIKey is LCEICEZGGWIPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2S/c1-3-5-7-11(9,10)8-6-4-2/h3-6H,7-8H2,1-2H3.
What are the key properties of 1-but-2-enylsulfonylbut-2-ene?
1-but-2-enylsulfonylbut-2-ene has a molecular weight of 174.26 g/mol, XLogP of 1.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-2-enylsulfonylbut-2-ene is sourced from PubChem (CID 54025944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).