4-but-3-enylsulfonylbut-1-ene

C8H14O2S — CID 11672750

IUPAC4-but-3-enylsulfonylbut-1-ene
SMILESC=CCCS(=O)(=O)CCC=C
InChIInChI=1S/C8H14O2S/c1-3-5-7-11(9,10)8-6-4-2/h3-4H,1-2,5-8H2
InChIKeyQUEZKQOOBPZAHD-UHFFFAOYSA-N
MW174.26 g/mol
LogP1.55
Rot. Bonds6

About 4-but-3-enylsulfonylbut-1-ene

4-but-3-enylsulfonylbut-1-ene (PubChem CID 11672750) has the molecular formula C8H14O2S and a molecular weight of 174.26 g/mol. Its IUPAC name is 4-but-3-enylsulfonylbut-1-ene.

Molecular Properties

Compound Name4-but-3-enylsulfonylbut-1-ene
PubChem CID11672750
Molecular FormulaC8H14O2S
Molecular Weight174.26 g/mol
Exact Mass174.07
IUPAC Name4-but-3-enylsulfonylbut-1-ene
SMILESC=CCCS(=O)(=O)CCC=C
InChIInChI=1S/C8H14O2S/c1-3-5-7-11(9,10)8-6-4-2/h3-4H,1-2,5-8H2
InChIKeyQUEZKQOOBPZAHD-UHFFFAOYSA-N
XLogP1.55
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
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 4-but-3-enylsulfonylbut-1-ene?
The IUPAC name of 4-but-3-enylsulfonylbut-1-ene (CID 11672750) is 4-but-3-enylsulfonylbut-1-ene.
What is the SMILES notation for 4-but-3-enylsulfonylbut-1-ene?
The canonical SMILES for 4-but-3-enylsulfonylbut-1-ene is C=CCCS(=O)(=O)CCC=C.
What is the InChIKey of 4-but-3-enylsulfonylbut-1-ene?
The InChIKey is QUEZKQOOBPZAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2S/c1-3-5-7-11(9,10)8-6-4-2/h3-4H,1-2,5-8H2.
What are the key properties of 4-but-3-enylsulfonylbut-1-ene?
4-but-3-enylsulfonylbut-1-ene has a molecular weight of 174.26 g/mol, XLogP of 1.55, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-3-enylsulfonylbut-1-ene is sourced from PubChem (CID 11672750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).