5-methyl-1,7-dioxa-4,10-dithiaspiro[5.5]undecane

C8H14O2S2 — CID 548223

IUPAC5-methyl-1,7-dioxa-4,10-dithiaspiro[5.5]undecane
SMILESCC1SCCOC12CSCCO2
InChIInChI=1S/C8H14O2S2/c1-7-8(10-3-5-12-7)6-11-4-2-9-8/h7H,2-6H2,1H3
InChIKeyFGMWNQFSTUFJDB-UHFFFAOYSA-N
MW206.33 g/mol
LogP1.60
Rot. Bonds

About 5-methyl-1,7-dioxa-4,10-dithiaspiro[5.5]undecane

5-methyl-1,7-dioxa-4,10-dithiaspiro[5.5]undecane (PubChem CID 548223) has the molecular formula C8H14O2S2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 5-methyl-1,7-dioxa-4,10-dithiaspiro[5.5]undecane.

Molecular Properties

Compound Name5-methyl-1,7-dioxa-4,10-dithiaspiro[5.5]undecane
PubChem CID548223
Molecular FormulaC8H14O2S2
Molecular Weight206.33 g/mol
Exact Mass206.04
IUPAC Name5-methyl-1,7-dioxa-4,10-dithiaspiro[5.5]undecane
SMILESCC1SCCOC12CSCCO2
InChIInChI=1S/C8H14O2S2/c1-7-8(10-3-5-12-7)6-11-4-2-9-8/h7H,2-6H2,1H3
InChIKeyFGMWNQFSTUFJDB-UHFFFAOYSA-N
XLogP1.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1,7-dioxa-4,10-dithiaspiro[5.5]undecane?
The IUPAC name of 5-methyl-1,7-dioxa-4,10-dithiaspiro[5.5]undecane (CID 548223) is 5-methyl-1,7-dioxa-4,10-dithiaspiro[5.5]undecane.
What is the SMILES notation for 5-methyl-1,7-dioxa-4,10-dithiaspiro[5.5]undecane?
The canonical SMILES for 5-methyl-1,7-dioxa-4,10-dithiaspiro[5.5]undecane is CC1SCCOC12CSCCO2.
What is the InChIKey of 5-methyl-1,7-dioxa-4,10-dithiaspiro[5.5]undecane?
The InChIKey is FGMWNQFSTUFJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2S2/c1-7-8(10-3-5-12-7)6-11-4-2-9-8/h7H,2-6H2,1H3.
What are the key properties of 5-methyl-1,7-dioxa-4,10-dithiaspiro[5.5]undecane?
5-methyl-1,7-dioxa-4,10-dithiaspiro[5.5]undecane has a molecular weight of 206.33 g/mol, XLogP of 1.60, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1,7-dioxa-4,10-dithiaspiro[5.5]undecane is sourced from PubChem (CID 548223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).