7,10-dioxa-2-thiaspiro[4.6]undecane

C8H14O2S — CID 118210105

IUPAC7,10-dioxa-2-thiaspiro[4.6]undecane
SMILESC1COCC2(CCSC2)CO1
InChIInChI=1S/C8H14O2S/c1-4-11-7-8(1)5-9-2-3-10-6-8/h1-7H2
InChIKeyCFISKOBYBNXTMZ-UHFFFAOYSA-N
MW174.26 g/mol
LogP1.16
Rot. Bonds

About 7,10-dioxa-2-thiaspiro[4.6]undecane

7,10-dioxa-2-thiaspiro[4.6]undecane (PubChem CID 118210105) has the molecular formula C8H14O2S and a molecular weight of 174.26 g/mol. Its IUPAC name is 7,10-dioxa-2-thiaspiro[4.6]undecane.

Molecular Properties

Compound Name7,10-dioxa-2-thiaspiro[4.6]undecane
PubChem CID118210105
Molecular FormulaC8H14O2S
Molecular Weight174.26 g/mol
Exact Mass174.07
IUPAC Name7,10-dioxa-2-thiaspiro[4.6]undecane
SMILESC1COCC2(CCSC2)CO1
InChIInChI=1S/C8H14O2S/c1-4-11-7-8(1)5-9-2-3-10-6-8/h1-7H2
InChIKeyCFISKOBYBNXTMZ-UHFFFAOYSA-N
XLogP1.16
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 ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7,10-dioxa-2-thiaspiro[4.6]undecane?
The IUPAC name of 7,10-dioxa-2-thiaspiro[4.6]undecane (CID 118210105) is 7,10-dioxa-2-thiaspiro[4.6]undecane.
What is the SMILES notation for 7,10-dioxa-2-thiaspiro[4.6]undecane?
The canonical SMILES for 7,10-dioxa-2-thiaspiro[4.6]undecane is C1COCC2(CCSC2)CO1.
What is the InChIKey of 7,10-dioxa-2-thiaspiro[4.6]undecane?
The InChIKey is CFISKOBYBNXTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2S/c1-4-11-7-8(1)5-9-2-3-10-6-8/h1-7H2.
What are the key properties of 7,10-dioxa-2-thiaspiro[4.6]undecane?
7,10-dioxa-2-thiaspiro[4.6]undecane has a molecular weight of 174.26 g/mol, XLogP of 1.16, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,10-dioxa-2-thiaspiro[4.6]undecane is sourced from PubChem (CID 118210105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).