(E)-4-tert-butylsulfonylbut-3-en-2-ol

C8H16O3S — CID 14224806

IUPAC(E)-4-tert-butylsulfonylbut-3-en-2-ol
SMILESCC(O)/C=C/S(=O)(=O)C(C)(C)C
InChIInChI=1S/C8H16O3S/c1-7(9)5-6-12(10,11)8(2,3)4/h5-7,9H,1-4H3/b6-5+
InChIKeyPVMVXXRYSULSNS-AATRIKPKSA-N
MW192.28 g/mol
LogP1.09
Rot. Bonds2

About (E)-4-tert-butylsulfonylbut-3-en-2-ol

(E)-4-tert-butylsulfonylbut-3-en-2-ol (PubChem CID 14224806) has the molecular formula C8H16O3S and a molecular weight of 192.28 g/mol. Its IUPAC name is (E)-4-tert-butylsulfonylbut-3-en-2-ol.

Molecular Properties

Compound Name(E)-4-tert-butylsulfonylbut-3-en-2-ol
PubChem CID14224806
Molecular FormulaC8H16O3S
Molecular Weight192.28 g/mol
Exact Mass192.08
IUPAC Name(E)-4-tert-butylsulfonylbut-3-en-2-ol
SMILESCC(O)/C=C/S(=O)(=O)C(C)(C)C
InChIInChI=1S/C8H16O3S/c1-7(9)5-6-12(10,11)8(2,3)4/h5-7,9H,1-4H3/b6-5+
InChIKeyPVMVXXRYSULSNS-AATRIKPKSA-N
XLogP1.09
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (E)-4-tert-butylsulfonylbut-3-en-2-ol?
The IUPAC name of (E)-4-tert-butylsulfonylbut-3-en-2-ol (CID 14224806) is (E)-4-tert-butylsulfonylbut-3-en-2-ol.
What is the SMILES notation for (E)-4-tert-butylsulfonylbut-3-en-2-ol?
The canonical SMILES for (E)-4-tert-butylsulfonylbut-3-en-2-ol is CC(O)/C=C/S(=O)(=O)C(C)(C)C.
What is the InChIKey of (E)-4-tert-butylsulfonylbut-3-en-2-ol?
The InChIKey is PVMVXXRYSULSNS-AATRIKPKSA-N. The full InChI is InChI=1S/C8H16O3S/c1-7(9)5-6-12(10,11)8(2,3)4/h5-7,9H,1-4H3/b6-5+.
What are the key properties of (E)-4-tert-butylsulfonylbut-3-en-2-ol?
(E)-4-tert-butylsulfonylbut-3-en-2-ol has a molecular weight of 192.28 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-tert-butylsulfonylbut-3-en-2-ol is sourced from PubChem (CID 14224806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).