4-ethylsulfonyl-2-methylbutan-1-ol

C7H16O3S — CID 66058110

IUPAC4-ethylsulfonyl-2-methylbutan-1-ol
SMILESCCS(=O)(=O)CCC(C)CO
InChIInChI=1S/C7H16O3S/c1-3-11(9,10)5-4-7(2)6-8/h7-8H,3-6H2,1-2H3
InChIKeyJJSFEWMTMBMIFP-UHFFFAOYSA-N
MW180.27 g/mol
LogP0.44
Rot. Bonds5

About 4-ethylsulfonyl-2-methylbutan-1-ol

4-ethylsulfonyl-2-methylbutan-1-ol (PubChem CID 66058110) has the molecular formula C7H16O3S and a molecular weight of 180.27 g/mol. Its IUPAC name is 4-ethylsulfonyl-2-methylbutan-1-ol.

Molecular Properties

Compound Name4-ethylsulfonyl-2-methylbutan-1-ol
PubChem CID66058110
Molecular FormulaC7H16O3S
Molecular Weight180.27 g/mol
Exact Mass180.08
IUPAC Name4-ethylsulfonyl-2-methylbutan-1-ol
SMILESCCS(=O)(=O)CCC(C)CO
InChIInChI=1S/C7H16O3S/c1-3-11(9,10)5-4-7(2)6-8/h7-8H,3-6H2,1-2H3
InChIKeyJJSFEWMTMBMIFP-UHFFFAOYSA-N
XLogP0.44
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.27
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfonyl-2-methylbutan-1-ol?
The IUPAC name of 4-ethylsulfonyl-2-methylbutan-1-ol (CID 66058110) is 4-ethylsulfonyl-2-methylbutan-1-ol.
What is the SMILES notation for 4-ethylsulfonyl-2-methylbutan-1-ol?
The canonical SMILES for 4-ethylsulfonyl-2-methylbutan-1-ol is CCS(=O)(=O)CCC(C)CO.
What is the InChIKey of 4-ethylsulfonyl-2-methylbutan-1-ol?
The InChIKey is JJSFEWMTMBMIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O3S/c1-3-11(9,10)5-4-7(2)6-8/h7-8H,3-6H2,1-2H3.
What are the key properties of 4-ethylsulfonyl-2-methylbutan-1-ol?
4-ethylsulfonyl-2-methylbutan-1-ol has a molecular weight of 180.27 g/mol, XLogP of 0.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfonyl-2-methylbutan-1-ol is sourced from PubChem (CID 66058110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).