2,6-dioxa-9-thiaspiro[4.6]undecane

C8H14O2S — CID 118210356

IUPAC2,6-dioxa-9-thiaspiro[4.6]undecane
SMILESC1CC2(CCSCCO2)CO1
InChIInChI=1S/C8H14O2S/c1-3-9-7-8(1)2-5-11-6-4-10-8/h1-7H2
InChIKeyZYVDMSPHPXXYNB-UHFFFAOYSA-N
MW174.26 g/mol
LogP1.30
Rot. Bonds

About 2,6-dioxa-9-thiaspiro[4.6]undecane

2,6-dioxa-9-thiaspiro[4.6]undecane (PubChem CID 118210356) has the molecular formula C8H14O2S and a molecular weight of 174.26 g/mol. Its IUPAC name is 2,6-dioxa-9-thiaspiro[4.6]undecane.

Molecular Properties

Compound Name2,6-dioxa-9-thiaspiro[4.6]undecane
PubChem CID118210356
Molecular FormulaC8H14O2S
Molecular Weight174.26 g/mol
Exact Mass174.07
IUPAC Name2,6-dioxa-9-thiaspiro[4.6]undecane
SMILESC1CC2(CCSCCO2)CO1
InChIInChI=1S/C8H14O2S/c1-3-9-7-8(1)2-5-11-6-4-10-8/h1-7H2
InChIKeyZYVDMSPHPXXYNB-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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Related Compounds

7,10-Dioxa-1-thiaspiro[4.6]undecane
CID 118209916
1,10-Dioxa-7-thiaspiro[4.6]undecane
CID 118210365
2,6-Dioxa-10-thiaspiro[4.6]undecane
CID 118210487
6,10-Dioxa-2-thiaspiro[4.6]undecane
CID 118210737
6,9-Dioxa-2-thiaspiro[4.6]undecane
CID 118210753

Frequently Asked Questions

What is the IUPAC name of 2,6-dioxa-9-thiaspiro[4.6]undecane?
The IUPAC name of 2,6-dioxa-9-thiaspiro[4.6]undecane (CID 118210356) is 2,6-dioxa-9-thiaspiro[4.6]undecane.
What is the SMILES notation for 2,6-dioxa-9-thiaspiro[4.6]undecane?
The canonical SMILES for 2,6-dioxa-9-thiaspiro[4.6]undecane is C1CC2(CCSCCO2)CO1.
What is the InChIKey of 2,6-dioxa-9-thiaspiro[4.6]undecane?
The InChIKey is ZYVDMSPHPXXYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2S/c1-3-9-7-8(1)2-5-11-6-4-10-8/h1-7H2.
What are the key properties of 2,6-dioxa-9-thiaspiro[4.6]undecane?
2,6-dioxa-9-thiaspiro[4.6]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 2,6-dioxa-9-thiaspiro[4.6]undecane is sourced from PubChem (CID 118210356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).