1-(2-ethyl-1,3-oxathiolan-2-yl)ethanone

C7H12O2S — CID 15304206

IUPAC1-(2-ethyl-1,3-oxathiolan-2-yl)ethanone
SMILESCCC1(C(C)=O)OCCS1
InChIInChI=1S/C7H12O2S/c1-3-7(6(2)8)9-4-5-10-7/h3-5H2,1-2H3
InChIKeyHRSDDQUTRYLHEW-UHFFFAOYSA-N
MW160.24 g/mol
LogP1.45
Rot. Bonds2

About 1-(2-ethyl-1,3-oxathiolan-2-yl)ethanone

1-(2-ethyl-1,3-oxathiolan-2-yl)ethanone (PubChem CID 15304206) has the molecular formula C7H12O2S and a molecular weight of 160.24 g/mol. Its IUPAC name is 1-(2-ethyl-1,3-oxathiolan-2-yl)ethanone.

Molecular Properties

Compound Name1-(2-ethyl-1,3-oxathiolan-2-yl)ethanone
PubChem CID15304206
Molecular FormulaC7H12O2S
Molecular Weight160.24 g/mol
Exact Mass160.06
IUPAC Name1-(2-ethyl-1,3-oxathiolan-2-yl)ethanone
SMILESCCC1(C(C)=O)OCCS1
InChIInChI=1S/C7H12O2S/c1-3-7(6(2)8)9-4-5-10-7/h3-5H2,1-2H3
InChIKeyHRSDDQUTRYLHEW-UHFFFAOYSA-N
XLogP1.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-1,3-oxathiolan-2-yl)ethanone?
The IUPAC name of 1-(2-ethyl-1,3-oxathiolan-2-yl)ethanone (CID 15304206) is 1-(2-ethyl-1,3-oxathiolan-2-yl)ethanone.
What is the SMILES notation for 1-(2-ethyl-1,3-oxathiolan-2-yl)ethanone?
The canonical SMILES for 1-(2-ethyl-1,3-oxathiolan-2-yl)ethanone is CCC1(C(C)=O)OCCS1.
What is the InChIKey of 1-(2-ethyl-1,3-oxathiolan-2-yl)ethanone?
The InChIKey is HRSDDQUTRYLHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2S/c1-3-7(6(2)8)9-4-5-10-7/h3-5H2,1-2H3.
What are the key properties of 1-(2-ethyl-1,3-oxathiolan-2-yl)ethanone?
1-(2-ethyl-1,3-oxathiolan-2-yl)ethanone has a molecular weight of 160.24 g/mol, XLogP of 1.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-1,3-oxathiolan-2-yl)ethanone is sourced from PubChem (CID 15304206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).