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

C7H12O2S2 — CID 576678

IUPAC1,7-dioxa-4,10-dithiaspiro[5.5]undecane
SMILESC1CSCC2(CSCCO2)O1
InChIInChI=1S/C7H12O2S2/c1-3-10-5-7(8-1)6-11-4-2-9-7/h1-6H2
InChIKeyAWILEVAQJGDCFN-UHFFFAOYSA-N
MW192.30 g/mol
LogP1.21
Rot. Bonds

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

1,7-dioxa-4,10-dithiaspiro[5.5]undecane (PubChem CID 576678) has the molecular formula C7H12O2S2 and a molecular weight of 192.30 g/mol. Its IUPAC name is 1,7-dioxa-4,10-dithiaspiro[5.5]undecane.

Molecular Properties

Compound Name1,7-dioxa-4,10-dithiaspiro[5.5]undecane
PubChem CID576678
Molecular FormulaC7H12O2S2
Molecular Weight192.30 g/mol
Exact Mass192.03
IUPAC Name1,7-dioxa-4,10-dithiaspiro[5.5]undecane
SMILESC1CSCC2(CSCCO2)O1
InChIInChI=1S/C7H12O2S2/c1-3-10-5-7(8-1)6-11-4-2-9-7/h1-6H2
InChIKeyAWILEVAQJGDCFN-UHFFFAOYSA-N
XLogP1.21
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,7-dioxa-4,10-dithiaspiro[5.5]undecane?
The IUPAC name of 1,7-dioxa-4,10-dithiaspiro[5.5]undecane (CID 576678) is 1,7-dioxa-4,10-dithiaspiro[5.5]undecane.
What is the SMILES notation for 1,7-dioxa-4,10-dithiaspiro[5.5]undecane?
The canonical SMILES for 1,7-dioxa-4,10-dithiaspiro[5.5]undecane is C1CSCC2(CSCCO2)O1.
What is the InChIKey of 1,7-dioxa-4,10-dithiaspiro[5.5]undecane?
The InChIKey is AWILEVAQJGDCFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2S2/c1-3-10-5-7(8-1)6-11-4-2-9-7/h1-6H2.
What are the key properties of 1,7-dioxa-4,10-dithiaspiro[5.5]undecane?
1,7-dioxa-4,10-dithiaspiro[5.5]undecane has a molecular weight of 192.30 g/mol, XLogP of 1.21, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dioxa-4,10-dithiaspiro[5.5]undecane is sourced from PubChem (CID 576678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).