2-[2-(oxolan-2-yl)thiolan-3-yl]oxane

C13H22O2S — CID 54411948

IUPAC2-[2-(oxolan-2-yl)thiolan-3-yl]oxane
SMILESC1CCC(C2CCSC2C2CCCO2)OC1
InChIInChI=1S/C13H22O2S/c1-2-7-14-11(4-1)10-6-9-16-13(10)12-5-3-8-15-12/h10-13H,1-9H2
InChIKeyUPLGHSAYTKOSFC-UHFFFAOYSA-N
MW242.38 g/mol
LogP2.86
Rot. Bonds2

About 2-[2-(oxolan-2-yl)thiolan-3-yl]oxane

2-[2-(oxolan-2-yl)thiolan-3-yl]oxane (PubChem CID 54411948) has the molecular formula C13H22O2S and a molecular weight of 242.38 g/mol. Its IUPAC name is 2-[2-(oxolan-2-yl)thiolan-3-yl]oxane.

Molecular Properties

Compound Name2-[2-(oxolan-2-yl)thiolan-3-yl]oxane
PubChem CID54411948
Molecular FormulaC13H22O2S
Molecular Weight242.38 g/mol
Exact Mass242.13
IUPAC Name2-[2-(oxolan-2-yl)thiolan-3-yl]oxane
SMILESC1CCC(C2CCSC2C2CCCO2)OC1
InChIInChI=1S/C13H22O2S/c1-2-7-14-11(4-1)10-6-9-16-13(10)12-5-3-8-15-12/h10-13H,1-9H2
InChIKeyUPLGHSAYTKOSFC-UHFFFAOYSA-N
XLogP2.86
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.38
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(oxolan-2-yl)thiolan-3-yl]oxane?
The IUPAC name of 2-[2-(oxolan-2-yl)thiolan-3-yl]oxane (CID 54411948) is 2-[2-(oxolan-2-yl)thiolan-3-yl]oxane.
What is the SMILES notation for 2-[2-(oxolan-2-yl)thiolan-3-yl]oxane?
The canonical SMILES for 2-[2-(oxolan-2-yl)thiolan-3-yl]oxane is C1CCC(C2CCSC2C2CCCO2)OC1.
What is the InChIKey of 2-[2-(oxolan-2-yl)thiolan-3-yl]oxane?
The InChIKey is UPLGHSAYTKOSFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2S/c1-2-7-14-11(4-1)10-6-9-16-13(10)12-5-3-8-15-12/h10-13H,1-9H2.
What are the key properties of 2-[2-(oxolan-2-yl)thiolan-3-yl]oxane?
2-[2-(oxolan-2-yl)thiolan-3-yl]oxane has a molecular weight of 242.38 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(oxolan-2-yl)thiolan-3-yl]oxane is sourced from PubChem (CID 54411948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).