2-(2-oxooxolan-3-yl)ethyl acetate

C8H12O4 — CID 11008384

IUPAC2-(2-oxooxolan-3-yl)ethyl acetate
SMILESCC(=O)OCCC1CCOC1=O
InChIInChI=1S/C8H12O4/c1-6(9)11-4-2-7-3-5-12-8(7)10/h7H,2-5H2,1H3
InChIKeyIWQXFGHYCZXZOB-UHFFFAOYSA-N
MW172.18 g/mol
LogP0.50
Rot. Bonds3

About 2-(2-oxooxolan-3-yl)ethyl acetate

2-(2-oxooxolan-3-yl)ethyl acetate (PubChem CID 11008384) has the molecular formula C8H12O4 and a molecular weight of 172.18 g/mol. Its IUPAC name is 2-(2-oxooxolan-3-yl)ethyl acetate.

Molecular Properties

Compound Name2-(2-oxooxolan-3-yl)ethyl acetate
PubChem CID11008384
Molecular FormulaC8H12O4
Molecular Weight172.18 g/mol
Exact Mass172.07
IUPAC Name2-(2-oxooxolan-3-yl)ethyl acetate
SMILESCC(=O)OCCC1CCOC1=O
InChIInChI=1S/C8H12O4/c1-6(9)11-4-2-7-3-5-12-8(7)10/h7H,2-5H2,1H3
InChIKeyIWQXFGHYCZXZOB-UHFFFAOYSA-N
XLogP0.50
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxooxolan-3-yl)ethyl acetate?
The IUPAC name of 2-(2-oxooxolan-3-yl)ethyl acetate (CID 11008384) is 2-(2-oxooxolan-3-yl)ethyl acetate.
What is the SMILES notation for 2-(2-oxooxolan-3-yl)ethyl acetate?
The canonical SMILES for 2-(2-oxooxolan-3-yl)ethyl acetate is CC(=O)OCCC1CCOC1=O.
What is the InChIKey of 2-(2-oxooxolan-3-yl)ethyl acetate?
The InChIKey is IWQXFGHYCZXZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O4/c1-6(9)11-4-2-7-3-5-12-8(7)10/h7H,2-5H2,1H3.
What are the key properties of 2-(2-oxooxolan-3-yl)ethyl acetate?
2-(2-oxooxolan-3-yl)ethyl acetate has a molecular weight of 172.18 g/mol, XLogP of 0.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxooxolan-3-yl)ethyl acetate is sourced from PubChem (CID 11008384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).