(E)-1-[(E)-but-2-enyl]sulfonylbut-2-ene

C8H14O2S — CID 11052156

IUPAC(E)-1-[(E)-but-2-enyl]sulfonylbut-2-ene
SMILESC/C=C/CS(=O)(=O)C/C=C/C
InChIInChI=1S/C8H14O2S/c1-3-5-7-11(9,10)8-6-4-2/h3-6H,7-8H2,1-2H3/b5-3+,6-4+
InChIKeyLCEICEZGGWIPRS-GGWOSOGESA-N
MW174.26 g/mol
LogP1.55
Rot. Bonds4

About (E)-1-[(E)-but-2-enyl]sulfonylbut-2-ene

(E)-1-[(E)-but-2-enyl]sulfonylbut-2-ene (PubChem CID 11052156) has the molecular formula C8H14O2S and a molecular weight of 174.26 g/mol. Its IUPAC name is (E)-1-[(E)-but-2-enyl]sulfonylbut-2-ene.

Molecular Properties

Compound Name(E)-1-[(E)-but-2-enyl]sulfonylbut-2-ene
PubChem CID11052156
Molecular FormulaC8H14O2S
Molecular Weight174.26 g/mol
Exact Mass174.07
IUPAC Name(E)-1-[(E)-but-2-enyl]sulfonylbut-2-ene
SMILESC/C=C/CS(=O)(=O)C/C=C/C
InChIInChI=1S/C8H14O2S/c1-3-5-7-11(9,10)8-6-4-2/h3-6H,7-8H2,1-2H3/b5-3+,6-4+
InChIKeyLCEICEZGGWIPRS-GGWOSOGESA-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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Related Compounds

3-Sulfolene
CID 6498
3-Methanesulfonylprop-1-ene
CID 140048
Diallyl sulfone
CID 159797
2-Propenyl 3-(2-propenylsulfonyl)-1-propenyl disulfide
CID 88657773
Butadiene sulfone-2,2,5,5-d4
CID 12216878
3-(Ethylsulphonyl)-1-propene
CID 141864
Propene, 1-(ethylsulfinyl)-3-(2-propenylsulfinyl)-
CID 6449029
(1E,3E)-1-[(E)-prop-1-enyl]sulfonylhexa-1,3,5-triene
CID 44386442
(e)-1-Allyl-2-(3-(allylsulfonyl)prop-1-en-1-yl) disulfane
CID 14625153
Thiepin, 2,7-dihydro-, 1,1-dioxide
CID 177734
1-[(E)-but-2-enyl]sulfonyl-3-methylbuta-1,2-diene
CID 15026003
Prenyl sulfone
CID 9942451

Frequently Asked Questions

What is the IUPAC name of (E)-1-[(E)-but-2-enyl]sulfonylbut-2-ene?
The IUPAC name of (E)-1-[(E)-but-2-enyl]sulfonylbut-2-ene (CID 11052156) is (E)-1-[(E)-but-2-enyl]sulfonylbut-2-ene.
What is the SMILES notation for (E)-1-[(E)-but-2-enyl]sulfonylbut-2-ene?
The canonical SMILES for (E)-1-[(E)-but-2-enyl]sulfonylbut-2-ene is C/C=C/CS(=O)(=O)C/C=C/C.
What is the InChIKey of (E)-1-[(E)-but-2-enyl]sulfonylbut-2-ene?
The InChIKey is LCEICEZGGWIPRS-GGWOSOGESA-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/b5-3+,6-4+.
What are the key properties of (E)-1-[(E)-but-2-enyl]sulfonylbut-2-ene?
(E)-1-[(E)-but-2-enyl]sulfonylbut-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 (E)-1-[(E)-but-2-enyl]sulfonylbut-2-ene is sourced from PubChem (CID 11052156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).