5,8-dioxa-2-thiaspiro[3.7]undecane

C8H14O2S — CID 118210825

IUPAC5,8-dioxa-2-thiaspiro[3.7]undecane
SMILESC1COCCOC2(C1)CSC2
InChIInChI=1S/C8H14O2S/c1-2-8(6-11-7-8)10-5-4-9-3-1/h1-7H2
InChIKeyUMJOWTMHIRJZSC-UHFFFAOYSA-N
MW174.26 g/mol
LogP1.30
Rot. Bonds

About 5,8-dioxa-2-thiaspiro[3.7]undecane

5,8-dioxa-2-thiaspiro[3.7]undecane (PubChem CID 118210825) has the molecular formula C8H14O2S and a molecular weight of 174.26 g/mol. Its IUPAC name is 5,8-dioxa-2-thiaspiro[3.7]undecane.

Molecular Properties

Compound Name5,8-dioxa-2-thiaspiro[3.7]undecane
PubChem CID118210825
Molecular FormulaC8H14O2S
Molecular Weight174.26 g/mol
Exact Mass174.07
IUPAC Name5,8-dioxa-2-thiaspiro[3.7]undecane
SMILESC1COCCOC2(C1)CSC2
InChIInChI=1S/C8H14O2S/c1-2-8(6-11-7-8)10-5-4-9-3-1/h1-7H2
InChIKeyUMJOWTMHIRJZSC-UHFFFAOYSA-N
XLogP1.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.26
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,8-dioxa-2-thiaspiro[3.7]undecane?
The IUPAC name of 5,8-dioxa-2-thiaspiro[3.7]undecane (CID 118210825) is 5,8-dioxa-2-thiaspiro[3.7]undecane.
What is the SMILES notation for 5,8-dioxa-2-thiaspiro[3.7]undecane?
The canonical SMILES for 5,8-dioxa-2-thiaspiro[3.7]undecane is C1COCCOC2(C1)CSC2.
What is the InChIKey of 5,8-dioxa-2-thiaspiro[3.7]undecane?
The InChIKey is UMJOWTMHIRJZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2S/c1-2-8(6-11-7-8)10-5-4-9-3-1/h1-7H2.
What are the key properties of 5,8-dioxa-2-thiaspiro[3.7]undecane?
5,8-dioxa-2-thiaspiro[3.7]undecane has a molecular weight of 174.26 g/mol, XLogP of 1.30, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dioxa-2-thiaspiro[3.7]undecane is sourced from PubChem (CID 118210825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).