1-(2-methylprop-2-enylsulfonyl)ethanol

C6H12O3S — CID 19893347

IUPAC1-(2-methylprop-2-enylsulfonyl)ethanol
SMILESC=C(C)CS(=O)(=O)C(C)O
InChIInChI=1S/C6H12O3S/c1-5(2)4-10(8,9)6(3)7/h6-7H,1,4H2,2-3H3
InChIKeyLVZBWMJHWRKQFP-UHFFFAOYSA-N
MW164.23 g/mol
LogP0.32
Rot. Bonds3

About 1-(2-methylprop-2-enylsulfonyl)ethanol

1-(2-methylprop-2-enylsulfonyl)ethanol (PubChem CID 19893347) has the molecular formula C6H12O3S and a molecular weight of 164.23 g/mol. Its IUPAC name is 1-(2-methylprop-2-enylsulfonyl)ethanol.

Molecular Properties

Compound Name1-(2-methylprop-2-enylsulfonyl)ethanol
PubChem CID19893347
Molecular FormulaC6H12O3S
Molecular Weight164.23 g/mol
Exact Mass164.05
IUPAC Name1-(2-methylprop-2-enylsulfonyl)ethanol
SMILESC=C(C)CS(=O)(=O)C(C)O
InChIInChI=1S/C6H12O3S/c1-5(2)4-10(8,9)6(3)7/h6-7H,1,4H2,2-3H3
InChIKeyLVZBWMJHWRKQFP-UHFFFAOYSA-N
XLogP0.32
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylprop-2-enylsulfonyl)ethanol?
The IUPAC name of 1-(2-methylprop-2-enylsulfonyl)ethanol (CID 19893347) is 1-(2-methylprop-2-enylsulfonyl)ethanol.
What is the SMILES notation for 1-(2-methylprop-2-enylsulfonyl)ethanol?
The canonical SMILES for 1-(2-methylprop-2-enylsulfonyl)ethanol is C=C(C)CS(=O)(=O)C(C)O.
What is the InChIKey of 1-(2-methylprop-2-enylsulfonyl)ethanol?
The InChIKey is LVZBWMJHWRKQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3S/c1-5(2)4-10(8,9)6(3)7/h6-7H,1,4H2,2-3H3.
What are the key properties of 1-(2-methylprop-2-enylsulfonyl)ethanol?
1-(2-methylprop-2-enylsulfonyl)ethanol has a molecular weight of 164.23 g/mol, XLogP of 0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylprop-2-enylsulfonyl)ethanol is sourced from PubChem (CID 19893347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).