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

C6H12O3S — CID 14965542

IUPAC2-(2-methylprop-2-enylsulfonyl)ethanol
SMILESC=C(C)CS(=O)(=O)CCO
InChIInChI=1S/C6H12O3S/c1-6(2)5-10(8,9)4-3-7/h7H,1,3-5H2,2H3
InChIKeyCQCNPPOVAALQKR-UHFFFAOYSA-N
MW164.23 g/mol
LogP-0.03
Rot. Bonds4

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

2-(2-methylprop-2-enylsulfonyl)ethanol (PubChem CID 14965542) has the molecular formula C6H12O3S and a molecular weight of 164.23 g/mol. Its IUPAC name is 2-(2-methylprop-2-enylsulfonyl)ethanol.

Molecular Properties

Compound Name2-(2-methylprop-2-enylsulfonyl)ethanol
PubChem CID14965542
Molecular FormulaC6H12O3S
Molecular Weight164.23 g/mol
Exact Mass164.05
IUPAC Name2-(2-methylprop-2-enylsulfonyl)ethanol
SMILESC=C(C)CS(=O)(=O)CCO
InChIInChI=1S/C6H12O3S/c1-6(2)5-10(8,9)4-3-7/h7H,1,3-5H2,2H3
InChIKeyCQCNPPOVAALQKR-UHFFFAOYSA-N
XLogP-0.03
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-Methylprop-2-enylsulfinyl)ethanol
CID 14965541
1-(2-Methylprop-2-enylsulfonyl)ethanol
CID 19893347
2-Prop-2-enylsulfonylethanol
CID 22979538
2-Butylsulfonylprop-2-en-1-ol
CID 53800067
2-Tert-butylsulfonylprop-2-en-1-ol
CID 53892775
2-(3-Methylbut-3-enylsulfonyl)ethanol
CID 57607445
3-Prop-2-enylsulfonylpropan-1-ol
CID 82181907
1-Prop-2-enylsulfonylethanol
CID 88788705
2-Methyl-1-methylsulfonylprop-2-en-1-ol
CID 174550575
(E)-3-methyl-4-methylsulfonylbut-2-en-1-ol
CID 12688120
(Z)-3-methyl-4-methylsulfonylbut-2-en-1-ol
CID 12688121
3-(2-Methylprop-2-enylsulfonyl)propan-1-ol
CID 82181935

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-2-enylsulfonyl)ethanol?
The IUPAC name of 2-(2-methylprop-2-enylsulfonyl)ethanol (CID 14965542) is 2-(2-methylprop-2-enylsulfonyl)ethanol.
What is the SMILES notation for 2-(2-methylprop-2-enylsulfonyl)ethanol?
The canonical SMILES for 2-(2-methylprop-2-enylsulfonyl)ethanol is C=C(C)CS(=O)(=O)CCO.
What is the InChIKey of 2-(2-methylprop-2-enylsulfonyl)ethanol?
The InChIKey is CQCNPPOVAALQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3S/c1-6(2)5-10(8,9)4-3-7/h7H,1,3-5H2,2H3.
What are the key properties of 2-(2-methylprop-2-enylsulfonyl)ethanol?
2-(2-methylprop-2-enylsulfonyl)ethanol has a molecular weight of 164.23 g/mol, XLogP of -0.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-2-enylsulfonyl)ethanol is sourced from PubChem (CID 14965542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).