2-(3-ethoxyoxolan-3-yl)acetaldehyde

C8H14O3 — CID 105430914

IUPAC2-(3-ethoxyoxolan-3-yl)acetaldehyde
SMILESCCOC1(CC=O)CCOC1
InChIInChI=1S/C8H14O3/c1-2-11-8(3-5-9)4-6-10-7-8/h5H,2-4,6-7H2,1H3
InChIKeyCIVTYFFEVPHTSY-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.77
Rot. Bonds4

About 2-(3-ethoxyoxolan-3-yl)acetaldehyde

2-(3-ethoxyoxolan-3-yl)acetaldehyde (PubChem CID 105430914) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is 2-(3-ethoxyoxolan-3-yl)acetaldehyde.

Molecular Properties

Compound Name2-(3-ethoxyoxolan-3-yl)acetaldehyde
PubChem CID105430914
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name2-(3-ethoxyoxolan-3-yl)acetaldehyde
SMILESCCOC1(CC=O)CCOC1
InChIInChI=1S/C8H14O3/c1-2-11-8(3-5-9)4-6-10-7-8/h5H,2-4,6-7H2,1H3
InChIKeyCIVTYFFEVPHTSY-UHFFFAOYSA-N
XLogP0.77
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.77
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-(3-ethoxyoxolan-3-yl)acetaldehyde?
The IUPAC name of 2-(3-ethoxyoxolan-3-yl)acetaldehyde (CID 105430914) is 2-(3-ethoxyoxolan-3-yl)acetaldehyde.
What is the SMILES notation for 2-(3-ethoxyoxolan-3-yl)acetaldehyde?
The canonical SMILES for 2-(3-ethoxyoxolan-3-yl)acetaldehyde is CCOC1(CC=O)CCOC1.
What is the InChIKey of 2-(3-ethoxyoxolan-3-yl)acetaldehyde?
The InChIKey is CIVTYFFEVPHTSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-2-11-8(3-5-9)4-6-10-7-8/h5H,2-4,6-7H2,1H3.
What are the key properties of 2-(3-ethoxyoxolan-3-yl)acetaldehyde?
2-(3-ethoxyoxolan-3-yl)acetaldehyde has a molecular weight of 158.20 g/mol, XLogP of 0.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxyoxolan-3-yl)acetaldehyde is sourced from PubChem (CID 105430914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).