2-(5-methoxyoxolan-3-yl)acetaldehyde

C7H12O3 — CID 130035371

IUPAC2-(5-methoxyoxolan-3-yl)acetaldehyde
SMILESCOC1CC(CC=O)CO1
InChIInChI=1S/C7H12O3/c1-9-7-4-6(2-3-8)5-10-7/h3,6-7H,2,4-5H2,1H3
InChIKeyRZMCFIFGQVUVRP-UHFFFAOYSA-N
MW144.17 g/mol
LogP0.58
Rot. Bonds3

About 2-(5-methoxyoxolan-3-yl)acetaldehyde

2-(5-methoxyoxolan-3-yl)acetaldehyde (PubChem CID 130035371) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is 2-(5-methoxyoxolan-3-yl)acetaldehyde.

Molecular Properties

Compound Name2-(5-methoxyoxolan-3-yl)acetaldehyde
PubChem CID130035371
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name2-(5-methoxyoxolan-3-yl)acetaldehyde
SMILESCOC1CC(CC=O)CO1
InChIInChI=1S/C7H12O3/c1-9-7-4-6(2-3-8)5-10-7/h3,6-7H,2,4-5H2,1H3
InChIKeyRZMCFIFGQVUVRP-UHFFFAOYSA-N
XLogP0.58
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxyoxolan-3-yl)acetaldehyde?
The IUPAC name of 2-(5-methoxyoxolan-3-yl)acetaldehyde (CID 130035371) is 2-(5-methoxyoxolan-3-yl)acetaldehyde.
What is the SMILES notation for 2-(5-methoxyoxolan-3-yl)acetaldehyde?
The canonical SMILES for 2-(5-methoxyoxolan-3-yl)acetaldehyde is COC1CC(CC=O)CO1.
What is the InChIKey of 2-(5-methoxyoxolan-3-yl)acetaldehyde?
The InChIKey is RZMCFIFGQVUVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3/c1-9-7-4-6(2-3-8)5-10-7/h3,6-7H,2,4-5H2,1H3.
What are the key properties of 2-(5-methoxyoxolan-3-yl)acetaldehyde?
2-(5-methoxyoxolan-3-yl)acetaldehyde has a molecular weight of 144.17 g/mol, XLogP of 0.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxyoxolan-3-yl)acetaldehyde is sourced from PubChem (CID 130035371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).