2,6-diethyl-1,4-oxathiane 4,4-dioxide

C8H16O3S — CID 21102829

IUPAC2,6-diethyl-1,4-oxathiane 4,4-dioxide
SMILESCCC1CS(=O)(=O)CC(CC)O1
InChIInChI=1S/C8H16O3S/c1-3-7-5-12(9,10)6-8(4-2)11-7/h7-8H,3-6H2,1-2H3
InChIKeyGAHQHKWHRYWZGO-UHFFFAOYSA-N
MW192.28 g/mol
LogP0.99
Rot. Bonds2

About 2,6-diethyl-1,4-oxathiane 4,4-dioxide

2,6-diethyl-1,4-oxathiane 4,4-dioxide (PubChem CID 21102829) has the molecular formula C8H16O3S and a molecular weight of 192.28 g/mol. Its IUPAC name is 2,6-diethyl-1,4-oxathiane 4,4-dioxide.

Molecular Properties

Compound Name2,6-diethyl-1,4-oxathiane 4,4-dioxide
PubChem CID21102829
Molecular FormulaC8H16O3S
Molecular Weight192.28 g/mol
Exact Mass192.08
IUPAC Name2,6-diethyl-1,4-oxathiane 4,4-dioxide
SMILESCCC1CS(=O)(=O)CC(CC)O1
InChIInChI=1S/C8H16O3S/c1-3-7-5-12(9,10)6-8(4-2)11-7/h7-8H,3-6H2,1-2H3
InChIKeyGAHQHKWHRYWZGO-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 2,6-diethyl-1,4-oxathiane 4,4-dioxide?
The IUPAC name of 2,6-diethyl-1,4-oxathiane 4,4-dioxide (CID 21102829) is 2,6-diethyl-1,4-oxathiane 4,4-dioxide.
What is the SMILES notation for 2,6-diethyl-1,4-oxathiane 4,4-dioxide?
The canonical SMILES for 2,6-diethyl-1,4-oxathiane 4,4-dioxide is CCC1CS(=O)(=O)CC(CC)O1.
What is the InChIKey of 2,6-diethyl-1,4-oxathiane 4,4-dioxide?
The InChIKey is GAHQHKWHRYWZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3S/c1-3-7-5-12(9,10)6-8(4-2)11-7/h7-8H,3-6H2,1-2H3.
What are the key properties of 2,6-diethyl-1,4-oxathiane 4,4-dioxide?
2,6-diethyl-1,4-oxathiane 4,4-dioxide 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 2,6-diethyl-1,4-oxathiane 4,4-dioxide is sourced from PubChem (CID 21102829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).