1-but-1-enylsulfonylbut-1-ene

C8H14O2S — CID 123705607

IUPAC1-but-1-enylsulfonylbut-1-ene
SMILESCCC=CS(=O)(=O)C=CCC
InChIInChI=1S/C8H14O2S/c1-3-5-7-11(9,10)8-6-4-2/h5-8H,3-4H2,1-2H3
InChIKeyIKUXNPLJIXWPNS-UHFFFAOYSA-N
MW174.26 g/mol
LogP2.25
Rot. Bonds4

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

1-but-1-enylsulfonylbut-1-ene (PubChem CID 123705607) has the molecular formula C8H14O2S and a molecular weight of 174.26 g/mol. Its IUPAC name is 1-but-1-enylsulfonylbut-1-ene.

Molecular Properties

Compound Name1-but-1-enylsulfonylbut-1-ene
PubChem CID123705607
Molecular FormulaC8H14O2S
Molecular Weight174.26 g/mol
Exact Mass174.07
IUPAC Name1-but-1-enylsulfonylbut-1-ene
SMILESCCC=CS(=O)(=O)C=CCC
InChIInChI=1S/C8H14O2S/c1-3-5-7-11(9,10)8-6-4-2/h5-8H,3-4H2,1-2H3
InChIKeyIKUXNPLJIXWPNS-UHFFFAOYSA-N
XLogP2.25
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 ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(Z)-but-1-ene-1-sulfonyl chloride
CID 117265958
1-penta-1,4-dienylsulfonylpenta-1,4-diene
CID 173151693
but-1-enyl benzenesulfonate
CID 142644575
hex-3-ene;sulfane
CID 174453265
hex-3-ene;hydrochloride
CID 159012047
benzenesulfonic acid;but-1-ene-1-sulfonic acid
CID 162058011
(Z)-7-ethylsulfonylhept-3-ene
CID 89382151
carbon dioxide;hex-3-ene;hydrate
CID 175552917
(Z)-hex-3-ene;methylazanium
CID 158917607
(5E)-octa-3,5-diene
CID 173104147
magnesium;(Z)-hex-3-ene;dibromide
CID 175085917
pent-2-enyl hydrogen sulfate
CID 151367529

Frequently Asked Questions

What is the IUPAC name of 1-but-1-enylsulfonylbut-1-ene?
The IUPAC name of 1-but-1-enylsulfonylbut-1-ene (CID 123705607) is 1-but-1-enylsulfonylbut-1-ene.
What is the SMILES notation for 1-but-1-enylsulfonylbut-1-ene?
The canonical SMILES for 1-but-1-enylsulfonylbut-1-ene is CCC=CS(=O)(=O)C=CCC.
What is the InChIKey of 1-but-1-enylsulfonylbut-1-ene?
The InChIKey is IKUXNPLJIXWPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2S/c1-3-5-7-11(9,10)8-6-4-2/h5-8H,3-4H2,1-2H3.
What are the key properties of 1-but-1-enylsulfonylbut-1-ene?
1-but-1-enylsulfonylbut-1-ene has a molecular weight of 174.26 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-1-enylsulfonylbut-1-ene is sourced from PubChem (CID 123705607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).