2-(2,5-dimethoxyoxolan-3-yl)acetaldehyde

C8H14O4 — CID 57443682

IUPAC2-(2,5-dimethoxyoxolan-3-yl)acetaldehyde
SMILESCOC1CC(CC=O)C(OC)O1
InChIInChI=1S/C8H14O4/c1-10-7-5-6(3-4-9)8(11-2)12-7/h4,6-8H,3,5H2,1-2H3
InChIKeyGBETXFTUFFPRAF-UHFFFAOYSA-N
MW174.20 g/mol
LogP0.56
Rot. Bonds4

About 2-(2,5-dimethoxyoxolan-3-yl)acetaldehyde

2-(2,5-dimethoxyoxolan-3-yl)acetaldehyde (PubChem CID 57443682) has the molecular formula C8H14O4 and a molecular weight of 174.20 g/mol. Its IUPAC name is 2-(2,5-dimethoxyoxolan-3-yl)acetaldehyde.

Molecular Properties

Compound Name2-(2,5-dimethoxyoxolan-3-yl)acetaldehyde
PubChem CID57443682
Molecular FormulaC8H14O4
Molecular Weight174.20 g/mol
Exact Mass174.09
IUPAC Name2-(2,5-dimethoxyoxolan-3-yl)acetaldehyde
SMILESCOC1CC(CC=O)C(OC)O1
InChIInChI=1S/C8H14O4/c1-10-7-5-6(3-4-9)8(11-2)12-7/h4,6-8H,3,5H2,1-2H3
InChIKeyGBETXFTUFFPRAF-UHFFFAOYSA-N
XLogP0.56
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(2,5-dimethoxyoxolan-3-yl)acetaldehyde?
The IUPAC name of 2-(2,5-dimethoxyoxolan-3-yl)acetaldehyde (CID 57443682) is 2-(2,5-dimethoxyoxolan-3-yl)acetaldehyde.
What is the SMILES notation for 2-(2,5-dimethoxyoxolan-3-yl)acetaldehyde?
The canonical SMILES for 2-(2,5-dimethoxyoxolan-3-yl)acetaldehyde is COC1CC(CC=O)C(OC)O1.
What is the InChIKey of 2-(2,5-dimethoxyoxolan-3-yl)acetaldehyde?
The InChIKey is GBETXFTUFFPRAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O4/c1-10-7-5-6(3-4-9)8(11-2)12-7/h4,6-8H,3,5H2,1-2H3.
What are the key properties of 2-(2,5-dimethoxyoxolan-3-yl)acetaldehyde?
2-(2,5-dimethoxyoxolan-3-yl)acetaldehyde has a molecular weight of 174.20 g/mol, XLogP of 0.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxyoxolan-3-yl)acetaldehyde is sourced from PubChem (CID 57443682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).