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

C5H8O2S — CID 91392106

IUPAC5,7-dioxa-6-thiaspiro[2.5]octane
SMILESC1CC12COSOC2
InChIInChI=1S/C5H8O2S/c1-2-5(1)3-6-8-7-4-5/h1-4H2
InChIKeyXEZCWAFYNBBEIR-UHFFFAOYSA-N
MW132.18 g/mol
LogP1.38
Rot. Bonds

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

5,7-dioxa-6-thiaspiro[2.5]octane (PubChem CID 91392106) has the molecular formula C5H8O2S and a molecular weight of 132.18 g/mol. Its IUPAC name is 5,7-dioxa-6-thiaspiro[2.5]octane.

Molecular Properties

Compound Name5,7-dioxa-6-thiaspiro[2.5]octane
PubChem CID91392106
Molecular FormulaC5H8O2S
Molecular Weight132.18 g/mol
Exact Mass132.02
IUPAC Name5,7-dioxa-6-thiaspiro[2.5]octane
SMILESC1CC12COSOC2
InChIInChI=1S/C5H8O2S/c1-2-5(1)3-6-8-7-4-5/h1-4H2
InChIKeyXEZCWAFYNBBEIR-UHFFFAOYSA-N
XLogP1.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.18
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,7-dioxa-6-thiaspiro[2.5]octane?
The IUPAC name of 5,7-dioxa-6-thiaspiro[2.5]octane (CID 91392106) is 5,7-dioxa-6-thiaspiro[2.5]octane.
What is the SMILES notation for 5,7-dioxa-6-thiaspiro[2.5]octane?
The canonical SMILES for 5,7-dioxa-6-thiaspiro[2.5]octane is C1CC12COSOC2.
What is the InChIKey of 5,7-dioxa-6-thiaspiro[2.5]octane?
The InChIKey is XEZCWAFYNBBEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2S/c1-2-5(1)3-6-8-7-4-5/h1-4H2.
What are the key properties of 5,7-dioxa-6-thiaspiro[2.5]octane?
5,7-dioxa-6-thiaspiro[2.5]octane has a molecular weight of 132.18 g/mol, XLogP of 1.38, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dioxa-6-thiaspiro[2.5]octane is sourced from PubChem (CID 91392106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).