2-ethylsulfonyl-2-methylbutane

C7H16O2S — CID 89228584

IUPAC2-ethylsulfonyl-2-methylbutane
SMILESCCC(C)(C)S(=O)(=O)CC
InChIInChI=1S/C7H16O2S/c1-5-7(3,4)10(8,9)6-2/h5-6H2,1-4H3
InChIKeyNIOPACZTYORVAC-UHFFFAOYSA-N
MW164.27 g/mol
LogP1.61
Rot. Bonds3

About 2-ethylsulfonyl-2-methylbutane

2-ethylsulfonyl-2-methylbutane (PubChem CID 89228584) has the molecular formula C7H16O2S and a molecular weight of 164.27 g/mol. Its IUPAC name is 2-ethylsulfonyl-2-methylbutane.

Molecular Properties

Compound Name2-ethylsulfonyl-2-methylbutane
PubChem CID89228584
Molecular FormulaC7H16O2S
Molecular Weight164.27 g/mol
Exact Mass164.09
IUPAC Name2-ethylsulfonyl-2-methylbutane
SMILESCCC(C)(C)S(=O)(=O)CC
InChIInChI=1S/C7H16O2S/c1-5-7(3,4)10(8,9)6-2/h5-6H2,1-4H3
InChIKeyNIOPACZTYORVAC-UHFFFAOYSA-N
XLogP1.61
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.27
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonyl-2-methylbutane?
The IUPAC name of 2-ethylsulfonyl-2-methylbutane (CID 89228584) is 2-ethylsulfonyl-2-methylbutane.
What is the SMILES notation for 2-ethylsulfonyl-2-methylbutane?
The canonical SMILES for 2-ethylsulfonyl-2-methylbutane is CCC(C)(C)S(=O)(=O)CC.
What is the InChIKey of 2-ethylsulfonyl-2-methylbutane?
The InChIKey is NIOPACZTYORVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O2S/c1-5-7(3,4)10(8,9)6-2/h5-6H2,1-4H3.
What are the key properties of 2-ethylsulfonyl-2-methylbutane?
2-ethylsulfonyl-2-methylbutane has a molecular weight of 164.27 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonyl-2-methylbutane is sourced from PubChem (CID 89228584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).