1,7-dioxa-4,10-dithiacyclododecane

C8H16O2S2 — CID 520439

IUPAC1,7-dioxa-4,10-dithiacyclododecane
SMILESC1CSCCOCCSCCO1
InChIInChI=1S/C8H16O2S2/c1-5-11-7-3-10-4-8-12-6-2-9-1/h1-8H2
InChIKeyANWGCVKFPKDUBI-UHFFFAOYSA-N
MW208.35 g/mol
LogP1.50
Rot. Bonds

About 1,7-dioxa-4,10-dithiacyclododecane

1,7-dioxa-4,10-dithiacyclododecane (PubChem CID 520439) has the molecular formula C8H16O2S2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 1,7-dioxa-4,10-dithiacyclododecane.

Molecular Properties

Compound Name1,7-dioxa-4,10-dithiacyclododecane
PubChem CID520439
Molecular FormulaC8H16O2S2
Molecular Weight208.35 g/mol
Exact Mass208.06
IUPAC Name1,7-dioxa-4,10-dithiacyclododecane
SMILESC1CSCCOCCSCCO1
InChIInChI=1S/C8H16O2S2/c1-5-11-7-3-10-4-8-12-6-2-9-1/h1-8H2
InChIKeyANWGCVKFPKDUBI-UHFFFAOYSA-N
XLogP1.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 51.50
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-dithiacyclododecane?
The IUPAC name of 1,7-dioxa-4,10-dithiacyclododecane (CID 520439) is 1,7-dioxa-4,10-dithiacyclododecane.
What is the SMILES notation for 1,7-dioxa-4,10-dithiacyclododecane?
The canonical SMILES for 1,7-dioxa-4,10-dithiacyclododecane is C1CSCCOCCSCCO1.
What is the InChIKey of 1,7-dioxa-4,10-dithiacyclododecane?
The InChIKey is ANWGCVKFPKDUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2S2/c1-5-11-7-3-10-4-8-12-6-2-9-1/h1-8H2.
What are the key properties of 1,7-dioxa-4,10-dithiacyclododecane?
1,7-dioxa-4,10-dithiacyclododecane has a molecular weight of 208.35 g/mol, XLogP of 1.50, 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-dithiacyclododecane is sourced from PubChem (CID 520439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).