8-oxa-2λ6-thiaspiro[5.5]undecane 2,2-dioxide

C9H16O3S — CID 118609032

IUPAC8-oxa-2λ6-thiaspiro[5.5]undecane 2,2-dioxide
SMILESO=S1(=O)CCCC2(CCCOC2)C1
InChIInChI=1S/C9H16O3S/c10-13(11)6-2-4-9(8-13)3-1-5-12-7-9/h1-8H2
InChIKeyJYKIYDFVIKAHMZ-UHFFFAOYSA-N
MW204.29 g/mol
LogP0.99
Rot. Bonds

About 8-oxa-2λ6-thiaspiro[5.5]undecane 2,2-dioxide

8-oxa-2λ6-thiaspiro[5.5]undecane 2,2-dioxide (PubChem CID 118609032) has the molecular formula C9H16O3S and a molecular weight of 204.29 g/mol. Its IUPAC name is 8-oxa-2λ6-thiaspiro[5.5]undecane 2,2-dioxide.

Molecular Properties

Compound Name8-oxa-2λ6-thiaspiro[5.5]undecane 2,2-dioxide
PubChem CID118609032
Molecular FormulaC9H16O3S
Molecular Weight204.29 g/mol
Exact Mass204.08
IUPAC Name8-oxa-2λ6-thiaspiro[5.5]undecane 2,2-dioxide
SMILESO=S1(=O)CCCC2(CCCOC2)C1
InChIInChI=1S/C9H16O3S/c10-13(11)6-2-4-9(8-13)3-1-5-12-7-9/h1-8H2
InChIKeyJYKIYDFVIKAHMZ-UHFFFAOYSA-N
XLogP0.99
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-oxa-2λ6-thiaspiro[5.5]undecane 2,2-dioxide?
The IUPAC name of 8-oxa-2λ6-thiaspiro[5.5]undecane 2,2-dioxide (CID 118609032) is 8-oxa-2λ6-thiaspiro[5.5]undecane 2,2-dioxide.
What is the SMILES notation for 8-oxa-2λ6-thiaspiro[5.5]undecane 2,2-dioxide?
The canonical SMILES for 8-oxa-2λ6-thiaspiro[5.5]undecane 2,2-dioxide is O=S1(=O)CCCC2(CCCOC2)C1.
What is the InChIKey of 8-oxa-2λ6-thiaspiro[5.5]undecane 2,2-dioxide?
The InChIKey is JYKIYDFVIKAHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3S/c10-13(11)6-2-4-9(8-13)3-1-5-12-7-9/h1-8H2.
What are the key properties of 8-oxa-2λ6-thiaspiro[5.5]undecane 2,2-dioxide?
8-oxa-2λ6-thiaspiro[5.5]undecane 2,2-dioxide has a molecular weight of 204.29 g/mol, XLogP of 0.99, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-oxa-2λ6-thiaspiro[5.5]undecane 2,2-dioxide is sourced from PubChem (CID 118609032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).