8-methyl-1,4-dioxa-7,10-dithiacyclododecane

C9H18O2S2 — CID 15932813

IUPAC8-methyl-1,4-dioxa-7,10-dithiacyclododecane
SMILESCC1CSCCOCCOCCS1
InChIInChI=1S/C9H18O2S2/c1-9-8-12-6-4-10-2-3-11-5-7-13-9/h9H,2-8H2,1H3
InChIKeyWURAFDAMZJGMDO-UHFFFAOYSA-N
MW222.37 g/mol
LogP1.89
Rot. Bonds

About 8-methyl-1,4-dioxa-7,10-dithiacyclododecane

8-methyl-1,4-dioxa-7,10-dithiacyclododecane (PubChem CID 15932813) has the molecular formula C9H18O2S2 and a molecular weight of 222.37 g/mol. Its IUPAC name is 8-methyl-1,4-dioxa-7,10-dithiacyclododecane.

Molecular Properties

Compound Name8-methyl-1,4-dioxa-7,10-dithiacyclododecane
PubChem CID15932813
Molecular FormulaC9H18O2S2
Molecular Weight222.37 g/mol
Exact Mass222.07
IUPAC Name8-methyl-1,4-dioxa-7,10-dithiacyclododecane
SMILESCC1CSCCOCCOCCS1
InChIInChI=1S/C9H18O2S2/c1-9-8-12-6-4-10-2-3-11-5-7-13-9/h9H,2-8H2,1H3
InChIKeyWURAFDAMZJGMDO-UHFFFAOYSA-N
XLogP1.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-1,4-dioxa-7,10-dithiacyclododecane?
The IUPAC name of 8-methyl-1,4-dioxa-7,10-dithiacyclododecane (CID 15932813) is 8-methyl-1,4-dioxa-7,10-dithiacyclododecane.
What is the SMILES notation for 8-methyl-1,4-dioxa-7,10-dithiacyclododecane?
The canonical SMILES for 8-methyl-1,4-dioxa-7,10-dithiacyclododecane is CC1CSCCOCCOCCS1.
What is the InChIKey of 8-methyl-1,4-dioxa-7,10-dithiacyclododecane?
The InChIKey is WURAFDAMZJGMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2S2/c1-9-8-12-6-4-10-2-3-11-5-7-13-9/h9H,2-8H2,1H3.
What are the key properties of 8-methyl-1,4-dioxa-7,10-dithiacyclododecane?
8-methyl-1,4-dioxa-7,10-dithiacyclododecane has a molecular weight of 222.37 g/mol, XLogP of 1.89, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-1,4-dioxa-7,10-dithiacyclododecane is sourced from PubChem (CID 15932813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).