(E)-2-tert-butylsulfonylbut-2-ene

C8H16O2S — CID 12759894

IUPAC(E)-2-tert-butylsulfonylbut-2-ene
SMILESC/C=C(\C)S(=O)(=O)C(C)(C)C
InChIInChI=1S/C8H16O2S/c1-6-7(2)11(9,10)8(3,4)5/h6H,1-5H3/b7-6+
InChIKeyNIXIICGUUXIDBV-VOTSOKGWSA-N
MW176.28 g/mol
LogP2.12
Rot. Bonds1

About (E)-2-tert-butylsulfonylbut-2-ene

(E)-2-tert-butylsulfonylbut-2-ene (PubChem CID 12759894) has the molecular formula C8H16O2S and a molecular weight of 176.28 g/mol. Its IUPAC name is (E)-2-tert-butylsulfonylbut-2-ene.

Molecular Properties

Compound Name(E)-2-tert-butylsulfonylbut-2-ene
PubChem CID12759894
Molecular FormulaC8H16O2S
Molecular Weight176.28 g/mol
Exact Mass176.09
IUPAC Name(E)-2-tert-butylsulfonylbut-2-ene
SMILESC/C=C(\C)S(=O)(=O)C(C)(C)C
InChIInChI=1S/C8H16O2S/c1-6-7(2)11(9,10)8(3,4)5/h6H,1-5H3/b7-6+
InChIKeyNIXIICGUUXIDBV-VOTSOKGWSA-N
XLogP2.12
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.28
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-2-tert-butylsulfonylbut-2-ene?
The IUPAC name of (E)-2-tert-butylsulfonylbut-2-ene (CID 12759894) is (E)-2-tert-butylsulfonylbut-2-ene.
What is the SMILES notation for (E)-2-tert-butylsulfonylbut-2-ene?
The canonical SMILES for (E)-2-tert-butylsulfonylbut-2-ene is C/C=C(\C)S(=O)(=O)C(C)(C)C.
What is the InChIKey of (E)-2-tert-butylsulfonylbut-2-ene?
The InChIKey is NIXIICGUUXIDBV-VOTSOKGWSA-N. The full InChI is InChI=1S/C8H16O2S/c1-6-7(2)11(9,10)8(3,4)5/h6H,1-5H3/b7-6+.
What are the key properties of (E)-2-tert-butylsulfonylbut-2-ene?
(E)-2-tert-butylsulfonylbut-2-ene has a molecular weight of 176.28 g/mol, XLogP of 2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-tert-butylsulfonylbut-2-ene is sourced from PubChem (CID 12759894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).