2-ethyl-2-ethylsulfonylbutan-1-ol

C8H18O3S — CID 88883853

IUPAC2-ethyl-2-ethylsulfonylbutan-1-ol
SMILESCCC(CC)(CO)S(=O)(=O)CC
InChIInChI=1S/C8H18O3S/c1-4-8(5-2,7-9)12(10,11)6-3/h9H,4-7H2,1-3H3
InChIKeyCHOUTXKTDOGJAV-UHFFFAOYSA-N
MW194.30 g/mol
LogP0.97
Rot. Bonds5

About 2-ethyl-2-ethylsulfonylbutan-1-ol

2-ethyl-2-ethylsulfonylbutan-1-ol (PubChem CID 88883853) has the molecular formula C8H18O3S and a molecular weight of 194.30 g/mol. Its IUPAC name is 2-ethyl-2-ethylsulfonylbutan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-ethylsulfonylbutan-1-ol
PubChem CID88883853
Molecular FormulaC8H18O3S
Molecular Weight194.30 g/mol
Exact Mass194.10
IUPAC Name2-ethyl-2-ethylsulfonylbutan-1-ol
SMILESCCC(CC)(CO)S(=O)(=O)CC
InChIInChI=1S/C8H18O3S/c1-4-8(5-2,7-9)12(10,11)6-3/h9H,4-7H2,1-3H3
InChIKeyCHOUTXKTDOGJAV-UHFFFAOYSA-N
XLogP0.97
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-ethylsulfonylbutan-1-ol?
The IUPAC name of 2-ethyl-2-ethylsulfonylbutan-1-ol (CID 88883853) is 2-ethyl-2-ethylsulfonylbutan-1-ol.
What is the SMILES notation for 2-ethyl-2-ethylsulfonylbutan-1-ol?
The canonical SMILES for 2-ethyl-2-ethylsulfonylbutan-1-ol is CCC(CC)(CO)S(=O)(=O)CC.
What is the InChIKey of 2-ethyl-2-ethylsulfonylbutan-1-ol?
The InChIKey is CHOUTXKTDOGJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O3S/c1-4-8(5-2,7-9)12(10,11)6-3/h9H,4-7H2,1-3H3.
What are the key properties of 2-ethyl-2-ethylsulfonylbutan-1-ol?
2-ethyl-2-ethylsulfonylbutan-1-ol has a molecular weight of 194.30 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-ethylsulfonylbutan-1-ol is sourced from PubChem (CID 88883853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).