2-ethyl-2-(2-methylpropylsulfonyl)butan-1-ol

C10H22O3S — CID 58814903

IUPAC2-ethyl-2-(2-methylpropylsulfonyl)butan-1-ol
SMILESCCC(CC)(CO)S(=O)(=O)CC(C)C
InChIInChI=1S/C10H22O3S/c1-5-10(6-2,8-11)14(12,13)7-9(3)4/h9,11H,5-8H2,1-4H3
InChIKeyRKEBQFCSINHBLN-UHFFFAOYSA-N
MW222.35 g/mol
LogP1.61
Rot. Bonds6

About 2-ethyl-2-(2-methylpropylsulfonyl)butan-1-ol

2-ethyl-2-(2-methylpropylsulfonyl)butan-1-ol (PubChem CID 58814903) has the molecular formula C10H22O3S and a molecular weight of 222.35 g/mol. Its IUPAC name is 2-ethyl-2-(2-methylpropylsulfonyl)butan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-(2-methylpropylsulfonyl)butan-1-ol
PubChem CID58814903
Molecular FormulaC10H22O3S
Molecular Weight222.35 g/mol
Exact Mass222.13
IUPAC Name2-ethyl-2-(2-methylpropylsulfonyl)butan-1-ol
SMILESCCC(CC)(CO)S(=O)(=O)CC(C)C
InChIInChI=1S/C10H22O3S/c1-5-10(6-2,8-11)14(12,13)7-9(3)4/h9,11H,5-8H2,1-4H3
InChIKeyRKEBQFCSINHBLN-UHFFFAOYSA-N
XLogP1.61
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.35
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(2-methylpropylsulfonyl)butan-1-ol?
The IUPAC name of 2-ethyl-2-(2-methylpropylsulfonyl)butan-1-ol (CID 58814903) is 2-ethyl-2-(2-methylpropylsulfonyl)butan-1-ol.
What is the SMILES notation for 2-ethyl-2-(2-methylpropylsulfonyl)butan-1-ol?
The canonical SMILES for 2-ethyl-2-(2-methylpropylsulfonyl)butan-1-ol is CCC(CC)(CO)S(=O)(=O)CC(C)C.
What is the InChIKey of 2-ethyl-2-(2-methylpropylsulfonyl)butan-1-ol?
The InChIKey is RKEBQFCSINHBLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O3S/c1-5-10(6-2,8-11)14(12,13)7-9(3)4/h9,11H,5-8H2,1-4H3.
What are the key properties of 2-ethyl-2-(2-methylpropylsulfonyl)butan-1-ol?
2-ethyl-2-(2-methylpropylsulfonyl)butan-1-ol has a molecular weight of 222.35 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(2-methylpropylsulfonyl)butan-1-ol is sourced from PubChem (CID 58814903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).