(E)-4-methylsulfonylbut-3-en-2-ol

C5H10O3S — CID 12543472

IUPAC(E)-4-methylsulfonylbut-3-en-2-ol
SMILESCC(O)/C=C/S(C)(=O)=O
InChIInChI=1S/C5H10O3S/c1-5(6)3-4-9(2,7)8/h3-6H,1-2H3/b4-3+
InChIKeyQDBVOYRCFBNPSS-ONEGZZNKSA-N
MW150.20 g/mol
LogP-0.07
Rot. Bonds2

About (E)-4-methylsulfonylbut-3-en-2-ol

(E)-4-methylsulfonylbut-3-en-2-ol (PubChem CID 12543472) has the molecular formula C5H10O3S and a molecular weight of 150.20 g/mol. Its IUPAC name is (E)-4-methylsulfonylbut-3-en-2-ol.

Molecular Properties

Compound Name(E)-4-methylsulfonylbut-3-en-2-ol
PubChem CID12543472
Molecular FormulaC5H10O3S
Molecular Weight150.20 g/mol
Exact Mass150.04
IUPAC Name(E)-4-methylsulfonylbut-3-en-2-ol
SMILESCC(O)/C=C/S(C)(=O)=O
InChIInChI=1S/C5H10O3S/c1-5(6)3-4-9(2,7)8/h3-6H,1-2H3/b4-3+
InChIKeyQDBVOYRCFBNPSS-ONEGZZNKSA-N
XLogP-0.07
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.20
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (E)-4-methylsulfonylbut-3-en-2-ol?
The IUPAC name of (E)-4-methylsulfonylbut-3-en-2-ol (CID 12543472) is (E)-4-methylsulfonylbut-3-en-2-ol.
What is the SMILES notation for (E)-4-methylsulfonylbut-3-en-2-ol?
The canonical SMILES for (E)-4-methylsulfonylbut-3-en-2-ol is CC(O)/C=C/S(C)(=O)=O.
What is the InChIKey of (E)-4-methylsulfonylbut-3-en-2-ol?
The InChIKey is QDBVOYRCFBNPSS-ONEGZZNKSA-N. The full InChI is InChI=1S/C5H10O3S/c1-5(6)3-4-9(2,7)8/h3-6H,1-2H3/b4-3+.
What are the key properties of (E)-4-methylsulfonylbut-3-en-2-ol?
(E)-4-methylsulfonylbut-3-en-2-ol has a molecular weight of 150.20 g/mol, XLogP of -0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-methylsulfonylbut-3-en-2-ol is sourced from PubChem (CID 12543472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).