2-cyclohexyl-1,3-oxathiolan-5-one

C9H14O2S — CID 11217675

IUPAC2-cyclohexyl-1,3-oxathiolan-5-one
SMILESO=C1CSC(C2CCCCC2)O1
InChIInChI=1S/C9H14O2S/c10-8-6-12-9(11-8)7-4-2-1-3-5-7/h7,9H,1-6H2
InChIKeyOPABPXHMVCIAAR-UHFFFAOYSA-N
MW186.28 g/mol
LogP2.18
Rot. Bonds1

About 2-cyclohexyl-1,3-oxathiolan-5-one

2-cyclohexyl-1,3-oxathiolan-5-one (PubChem CID 11217675) has the molecular formula C9H14O2S and a molecular weight of 186.28 g/mol. Its IUPAC name is 2-cyclohexyl-1,3-oxathiolan-5-one.

Molecular Properties

Compound Name2-cyclohexyl-1,3-oxathiolan-5-one
PubChem CID11217675
Molecular FormulaC9H14O2S
Molecular Weight186.28 g/mol
Exact Mass186.07
IUPAC Name2-cyclohexyl-1,3-oxathiolan-5-one
SMILESO=C1CSC(C2CCCCC2)O1
InChIInChI=1S/C9H14O2S/c10-8-6-12-9(11-8)7-4-2-1-3-5-7/h7,9H,1-6H2
InChIKeyOPABPXHMVCIAAR-UHFFFAOYSA-N
XLogP2.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1,3-oxathiolan-5-one?
The IUPAC name of 2-cyclohexyl-1,3-oxathiolan-5-one (CID 11217675) is 2-cyclohexyl-1,3-oxathiolan-5-one.
What is the SMILES notation for 2-cyclohexyl-1,3-oxathiolan-5-one?
The canonical SMILES for 2-cyclohexyl-1,3-oxathiolan-5-one is O=C1CSC(C2CCCCC2)O1.
What is the InChIKey of 2-cyclohexyl-1,3-oxathiolan-5-one?
The InChIKey is OPABPXHMVCIAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2S/c10-8-6-12-9(11-8)7-4-2-1-3-5-7/h7,9H,1-6H2.
What are the key properties of 2-cyclohexyl-1,3-oxathiolan-5-one?
2-cyclohexyl-1,3-oxathiolan-5-one has a molecular weight of 186.28 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1,3-oxathiolan-5-one is sourced from PubChem (CID 11217675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).