1-oxa-4,7,10-trithiacyclododecane

C8H16OS3 — CID 528227

IUPAC1-oxa-4,7,10-trithiacyclododecane
SMILESC1CSCCSCCSCCO1
InChIInChI=1S/C8H16OS3/c1-3-10-5-7-12-8-6-11-4-2-9-1/h1-8H2
InChIKeyGBFAGTGBGJQKBG-UHFFFAOYSA-N
MW224.42 g/mol
LogP2.22
Rot. Bonds

About 1-oxa-4,7,10-trithiacyclododecane

1-oxa-4,7,10-trithiacyclododecane (PubChem CID 528227) has the molecular formula C8H16OS3 and a molecular weight of 224.42 g/mol. Its IUPAC name is 1-oxa-4,7,10-trithiacyclododecane.

Molecular Properties

Compound Name1-oxa-4,7,10-trithiacyclododecane
PubChem CID528227
Molecular FormulaC8H16OS3
Molecular Weight224.42 g/mol
Exact Mass224.04
IUPAC Name1-oxa-4,7,10-trithiacyclododecane
SMILESC1CSCCSCCSCCO1
InChIInChI=1S/C8H16OS3/c1-3-10-5-7-12-8-6-11-4-2-9-1/h1-8H2
InChIKeyGBFAGTGBGJQKBG-UHFFFAOYSA-N
XLogP2.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.42
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-oxa-4,7,10-trithiacyclododecane?
The IUPAC name of 1-oxa-4,7,10-trithiacyclododecane (CID 528227) is 1-oxa-4,7,10-trithiacyclododecane.
What is the SMILES notation for 1-oxa-4,7,10-trithiacyclododecane?
The canonical SMILES for 1-oxa-4,7,10-trithiacyclododecane is C1CSCCSCCSCCO1.
What is the InChIKey of 1-oxa-4,7,10-trithiacyclododecane?
The InChIKey is GBFAGTGBGJQKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16OS3/c1-3-10-5-7-12-8-6-11-4-2-9-1/h1-8H2.
What are the key properties of 1-oxa-4,7,10-trithiacyclododecane?
1-oxa-4,7,10-trithiacyclododecane has a molecular weight of 224.42 g/mol, XLogP of 2.22, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxa-4,7,10-trithiacyclododecane is sourced from PubChem (CID 528227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).