5,7-dioxa-6λ6-thiaspiro[2.5]octane 6,6-dioxide

C5H8O4S — CID 55264283

IUPAC5,7-dioxa-6λ6-thiaspiro[2.5]octane 6,6-dioxide
SMILESO=S1(=O)OCC2(CC2)CO1
InChIInChI=1S/C5H8O4S/c6-10(7)8-3-5(1-2-5)4-9-10/h1-4H2
InChIKeyJIIABAJOYJJDQW-UHFFFAOYSA-N
MW164.18 g/mol
LogP0.06
Rot. Bonds

About 5,7-dioxa-6λ6-thiaspiro[2.5]octane 6,6-dioxide

5,7-dioxa-6λ6-thiaspiro[2.5]octane 6,6-dioxide (PubChem CID 55264283) has the molecular formula C5H8O4S and a molecular weight of 164.18 g/mol. Its IUPAC name is 5,7-dioxa-6λ6-thiaspiro[2.5]octane 6,6-dioxide.

Molecular Properties

Compound Name5,7-dioxa-6λ6-thiaspiro[2.5]octane 6,6-dioxide
PubChem CID55264283
Molecular FormulaC5H8O4S
Molecular Weight164.18 g/mol
Exact Mass164.01
IUPAC Name5,7-dioxa-6λ6-thiaspiro[2.5]octane 6,6-dioxide
SMILESO=S1(=O)OCC2(CC2)CO1
InChIInChI=1S/C5H8O4S/c6-10(7)8-3-5(1-2-5)4-9-10/h1-4H2
InChIKeyJIIABAJOYJJDQW-UHFFFAOYSA-N
XLogP0.06
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.18
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,7-dioxa-6λ6-thiaspiro[2.5]octane 6,6-dioxide?
The IUPAC name of 5,7-dioxa-6λ6-thiaspiro[2.5]octane 6,6-dioxide (CID 55264283) is 5,7-dioxa-6λ6-thiaspiro[2.5]octane 6,6-dioxide.
What is the SMILES notation for 5,7-dioxa-6λ6-thiaspiro[2.5]octane 6,6-dioxide?
The canonical SMILES for 5,7-dioxa-6λ6-thiaspiro[2.5]octane 6,6-dioxide is O=S1(=O)OCC2(CC2)CO1.
What is the InChIKey of 5,7-dioxa-6λ6-thiaspiro[2.5]octane 6,6-dioxide?
The InChIKey is JIIABAJOYJJDQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O4S/c6-10(7)8-3-5(1-2-5)4-9-10/h1-4H2.
What are the key properties of 5,7-dioxa-6λ6-thiaspiro[2.5]octane 6,6-dioxide?
5,7-dioxa-6λ6-thiaspiro[2.5]octane 6,6-dioxide has a molecular weight of 164.18 g/mol, XLogP of 0.06, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dioxa-6λ6-thiaspiro[2.5]octane 6,6-dioxide is sourced from PubChem (CID 55264283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).