(2-oxooxolan-3-yl) acetate

C6H8O4 — CID 10313197

IUPAC(2-oxooxolan-3-yl) acetate
SMILESCC(=O)OC1CCOC1=O
InChIInChI=1S/C6H8O4/c1-4(7)10-5-2-3-9-6(5)8/h5H,2-3H2,1H3
InChIKeySNZQJSZZDOZNGW-UHFFFAOYSA-N
MW144.13 g/mol
LogP-0.14
Rot. Bonds1

About (2-oxooxolan-3-yl) acetate

(2-oxooxolan-3-yl) acetate (PubChem CID 10313197) has the molecular formula C6H8O4 and a molecular weight of 144.13 g/mol. Its IUPAC name is (2-oxooxolan-3-yl) acetate.

Molecular Properties

Compound Name(2-oxooxolan-3-yl) acetate
PubChem CID10313197
Molecular FormulaC6H8O4
Molecular Weight144.13 g/mol
Exact Mass144.04
IUPAC Name(2-oxooxolan-3-yl) acetate
SMILESCC(=O)OC1CCOC1=O
InChIInChI=1S/C6H8O4/c1-4(7)10-5-2-3-9-6(5)8/h5H,2-3H2,1H3
InChIKeySNZQJSZZDOZNGW-UHFFFAOYSA-N
XLogP-0.14
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.13
LogP ≤ 5-0.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-oxooxolan-3-yl) acetate?
The IUPAC name of (2-oxooxolan-3-yl) acetate (CID 10313197) is (2-oxooxolan-3-yl) acetate.
What is the SMILES notation for (2-oxooxolan-3-yl) acetate?
The canonical SMILES for (2-oxooxolan-3-yl) acetate is CC(=O)OC1CCOC1=O.
What is the InChIKey of (2-oxooxolan-3-yl) acetate?
The InChIKey is SNZQJSZZDOZNGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O4/c1-4(7)10-5-2-3-9-6(5)8/h5H,2-3H2,1H3.
What are the key properties of (2-oxooxolan-3-yl) acetate?
(2-oxooxolan-3-yl) acetate has a molecular weight of 144.13 g/mol, XLogP of -0.14, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxooxolan-3-yl) acetate is sourced from PubChem (CID 10313197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).