4-ethenylsulfonyl-2-methylbutan-1-ol

C7H14O3S — CID 54488185

IUPAC4-ethenylsulfonyl-2-methylbutan-1-ol
SMILESC=CS(=O)(=O)CCC(C)CO
InChIInChI=1S/C7H14O3S/c1-3-11(9,10)5-4-7(2)6-8/h3,7-8H,1,4-6H2,2H3
InChIKeyXTVPRAUJCIAZHG-UHFFFAOYSA-N
MW178.25 g/mol
LogP0.56
Rot. Bonds5

About 4-ethenylsulfonyl-2-methylbutan-1-ol

4-ethenylsulfonyl-2-methylbutan-1-ol (PubChem CID 54488185) has the molecular formula C7H14O3S and a molecular weight of 178.25 g/mol. Its IUPAC name is 4-ethenylsulfonyl-2-methylbutan-1-ol.

Molecular Properties

Compound Name4-ethenylsulfonyl-2-methylbutan-1-ol
PubChem CID54488185
Molecular FormulaC7H14O3S
Molecular Weight178.25 g/mol
Exact Mass178.07
IUPAC Name4-ethenylsulfonyl-2-methylbutan-1-ol
SMILESC=CS(=O)(=O)CCC(C)CO
InChIInChI=1S/C7H14O3S/c1-3-11(9,10)5-4-7(2)6-8/h3,7-8H,1,4-6H2,2H3
InChIKeyXTVPRAUJCIAZHG-UHFFFAOYSA-N
XLogP0.56
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.25
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethenylsulfonyl-2-methylbutan-1-ol?
The IUPAC name of 4-ethenylsulfonyl-2-methylbutan-1-ol (CID 54488185) is 4-ethenylsulfonyl-2-methylbutan-1-ol.
What is the SMILES notation for 4-ethenylsulfonyl-2-methylbutan-1-ol?
The canonical SMILES for 4-ethenylsulfonyl-2-methylbutan-1-ol is C=CS(=O)(=O)CCC(C)CO.
What is the InChIKey of 4-ethenylsulfonyl-2-methylbutan-1-ol?
The InChIKey is XTVPRAUJCIAZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3S/c1-3-11(9,10)5-4-7(2)6-8/h3,7-8H,1,4-6H2,2H3.
What are the key properties of 4-ethenylsulfonyl-2-methylbutan-1-ol?
4-ethenylsulfonyl-2-methylbutan-1-ol has a molecular weight of 178.25 g/mol, XLogP of 0.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenylsulfonyl-2-methylbutan-1-ol is sourced from PubChem (CID 54488185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).