2-butylsulfonylethanol

C6H14O3S — CID 12943302

IUPAC2-butylsulfonylethanol
SMILESCCCCS(=O)(=O)CCO
InChIInChI=1S/C6H14O3S/c1-2-3-5-10(8,9)6-4-7/h7H,2-6H2,1H3
InChIKeyRBMORHGGDCFDNG-UHFFFAOYSA-N
MW166.24 g/mol
LogP0.19
Rot. Bonds5

About 2-butylsulfonylethanol

2-butylsulfonylethanol (PubChem CID 12943302) has the molecular formula C6H14O3S and a molecular weight of 166.24 g/mol. Its IUPAC name is 2-butylsulfonylethanol.

Molecular Properties

Compound Name2-butylsulfonylethanol
PubChem CID12943302
Molecular FormulaC6H14O3S
Molecular Weight166.24 g/mol
Exact Mass166.07
IUPAC Name2-butylsulfonylethanol
SMILESCCCCS(=O)(=O)CCO
InChIInChI=1S/C6H14O3S/c1-2-3-5-10(8,9)6-4-7/h7H,2-6H2,1H3
InChIKeyRBMORHGGDCFDNG-UHFFFAOYSA-N
XLogP0.19
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.24
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-butylsulfonylethanol?
The IUPAC name of 2-butylsulfonylethanol (CID 12943302) is 2-butylsulfonylethanol.
What is the SMILES notation for 2-butylsulfonylethanol?
The canonical SMILES for 2-butylsulfonylethanol is CCCCS(=O)(=O)CCO.
What is the InChIKey of 2-butylsulfonylethanol?
The InChIKey is RBMORHGGDCFDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O3S/c1-2-3-5-10(8,9)6-4-7/h7H,2-6H2,1H3.
What are the key properties of 2-butylsulfonylethanol?
2-butylsulfonylethanol has a molecular weight of 166.24 g/mol, XLogP of 0.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylsulfonylethanol is sourced from PubChem (CID 12943302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).