(E)-1-methylsulfonylbut-2-ene

C5H10O2S — CID 15270286

IUPAC(E)-1-methylsulfonylbut-2-ene
SMILESC/C=C/CS(C)(=O)=O
InChIInChI=1S/C5H10O2S/c1-3-4-5-8(2,6)7/h3-4H,5H2,1-2H3/b4-3+
InChIKeyKULGVORQJRLZOG-ONEGZZNKSA-N
MW134.20 g/mol
LogP0.61
Rot. Bonds2

About (E)-1-methylsulfonylbut-2-ene

(E)-1-methylsulfonylbut-2-ene (PubChem CID 15270286) has the molecular formula C5H10O2S and a molecular weight of 134.20 g/mol. Its IUPAC name is (E)-1-methylsulfonylbut-2-ene.

Molecular Properties

Compound Name(E)-1-methylsulfonylbut-2-ene
PubChem CID15270286
Molecular FormulaC5H10O2S
Molecular Weight134.20 g/mol
Exact Mass134.04
IUPAC Name(E)-1-methylsulfonylbut-2-ene
SMILESC/C=C/CS(C)(=O)=O
InChIInChI=1S/C5H10O2S/c1-3-4-5-8(2,6)7/h3-4H,5H2,1-2H3/b4-3+
InChIKeyKULGVORQJRLZOG-ONEGZZNKSA-N
XLogP0.61
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.20
LogP ≤ 50.61
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 (E)-1-methylsulfonylbut-2-ene?
The IUPAC name of (E)-1-methylsulfonylbut-2-ene (CID 15270286) is (E)-1-methylsulfonylbut-2-ene.
What is the SMILES notation for (E)-1-methylsulfonylbut-2-ene?
The canonical SMILES for (E)-1-methylsulfonylbut-2-ene is C/C=C/CS(C)(=O)=O.
What is the InChIKey of (E)-1-methylsulfonylbut-2-ene?
The InChIKey is KULGVORQJRLZOG-ONEGZZNKSA-N. The full InChI is InChI=1S/C5H10O2S/c1-3-4-5-8(2,6)7/h3-4H,5H2,1-2H3/b4-3+.
What are the key properties of (E)-1-methylsulfonylbut-2-ene?
(E)-1-methylsulfonylbut-2-ene has a molecular weight of 134.20 g/mol, XLogP of 0.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-methylsulfonylbut-2-ene is sourced from PubChem (CID 15270286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).