4-ethylsulfonyl-4-methyloxane

C8H16O3S — CID 70672848

IUPAC4-ethylsulfonyl-4-methyloxane
SMILESCCS(=O)(=O)C1(C)CCOCC1
InChIInChI=1S/C8H16O3S/c1-3-12(9,10)8(2)4-6-11-7-5-8/h3-7H2,1-2H3
InChIKeyXMDNZLYBDVJJET-UHFFFAOYSA-N
MW192.28 g/mol
LogP0.99
Rot. Bonds2

About 4-ethylsulfonyl-4-methyloxane

4-ethylsulfonyl-4-methyloxane (PubChem CID 70672848) has the molecular formula C8H16O3S and a molecular weight of 192.28 g/mol. Its IUPAC name is 4-ethylsulfonyl-4-methyloxane.

Molecular Properties

Compound Name4-ethylsulfonyl-4-methyloxane
PubChem CID70672848
Molecular FormulaC8H16O3S
Molecular Weight192.28 g/mol
Exact Mass192.08
IUPAC Name4-ethylsulfonyl-4-methyloxane
SMILESCCS(=O)(=O)C1(C)CCOCC1
InChIInChI=1S/C8H16O3S/c1-3-12(9,10)8(2)4-6-11-7-5-8/h3-7H2,1-2H3
InChIKeyXMDNZLYBDVJJET-UHFFFAOYSA-N
XLogP0.99
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfonyl-4-methyloxane?
The IUPAC name of 4-ethylsulfonyl-4-methyloxane (CID 70672848) is 4-ethylsulfonyl-4-methyloxane.
What is the SMILES notation for 4-ethylsulfonyl-4-methyloxane?
The canonical SMILES for 4-ethylsulfonyl-4-methyloxane is CCS(=O)(=O)C1(C)CCOCC1.
What is the InChIKey of 4-ethylsulfonyl-4-methyloxane?
The InChIKey is XMDNZLYBDVJJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3S/c1-3-12(9,10)8(2)4-6-11-7-5-8/h3-7H2,1-2H3.
What are the key properties of 4-ethylsulfonyl-4-methyloxane?
4-ethylsulfonyl-4-methyloxane has a molecular weight of 192.28 g/mol, XLogP of 0.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfonyl-4-methyloxane is sourced from PubChem (CID 70672848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).