2-(2-oxooxolan-3-ylidene)acetaldehyde

C6H6O3 — CID 71398313

IUPAC2-(2-oxooxolan-3-ylidene)acetaldehyde
SMILESO=CC=C1CCOC1=O
InChIInChI=1S/C6H6O3/c7-3-1-5-2-4-9-6(5)8/h1,3H,2,4H2
InChIKeyUFQGMUYLSXPZNC-UHFFFAOYSA-N
MW126.11 g/mol
LogP0.06
Rot. Bonds1

About 2-(2-oxooxolan-3-ylidene)acetaldehyde

2-(2-oxooxolan-3-ylidene)acetaldehyde (PubChem CID 71398313) has the molecular formula C6H6O3 and a molecular weight of 126.11 g/mol. Its IUPAC name is 2-(2-oxooxolan-3-ylidene)acetaldehyde.

Molecular Properties

Compound Name2-(2-oxooxolan-3-ylidene)acetaldehyde
PubChem CID71398313
Molecular FormulaC6H6O3
Molecular Weight126.11 g/mol
Exact Mass126.03
IUPAC Name2-(2-oxooxolan-3-ylidene)acetaldehyde
SMILESO=CC=C1CCOC1=O
InChIInChI=1S/C6H6O3/c7-3-1-5-2-4-9-6(5)8/h1,3H,2,4H2
InChIKeyUFQGMUYLSXPZNC-UHFFFAOYSA-N
XLogP0.06
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.11
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxooxolan-3-ylidene)acetaldehyde?
The IUPAC name of 2-(2-oxooxolan-3-ylidene)acetaldehyde (CID 71398313) is 2-(2-oxooxolan-3-ylidene)acetaldehyde.
What is the SMILES notation for 2-(2-oxooxolan-3-ylidene)acetaldehyde?
The canonical SMILES for 2-(2-oxooxolan-3-ylidene)acetaldehyde is O=CC=C1CCOC1=O.
What is the InChIKey of 2-(2-oxooxolan-3-ylidene)acetaldehyde?
The InChIKey is UFQGMUYLSXPZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O3/c7-3-1-5-2-4-9-6(5)8/h1,3H,2,4H2.
What are the key properties of 2-(2-oxooxolan-3-ylidene)acetaldehyde?
2-(2-oxooxolan-3-ylidene)acetaldehyde has a molecular weight of 126.11 g/mol, XLogP of 0.06, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxooxolan-3-ylidene)acetaldehyde is sourced from PubChem (CID 71398313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).