3-(2-cyclobutylethoxy)propanal

C9H16O2 — CID 106203331

IUPAC3-(2-cyclobutylethoxy)propanal
SMILESO=CCCOCCC1CCC1
InChIInChI=1S/C9H16O2/c10-6-2-7-11-8-5-9-3-1-4-9/h6,9H,1-5,7-8H2
InChIKeyUEAQOPZOAMCOFG-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.78
Rot. Bonds6

About 3-(2-cyclobutylethoxy)propanal

3-(2-cyclobutylethoxy)propanal (PubChem CID 106203331) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 3-(2-cyclobutylethoxy)propanal.

Molecular Properties

Compound Name3-(2-cyclobutylethoxy)propanal
PubChem CID106203331
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name3-(2-cyclobutylethoxy)propanal
SMILESO=CCCOCCC1CCC1
InChIInChI=1S/C9H16O2/c10-6-2-7-11-8-5-9-3-1-4-9/h6,9H,1-5,7-8H2
InChIKeyUEAQOPZOAMCOFG-UHFFFAOYSA-N
XLogP1.78
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(2-cyclobutylethoxy)propanal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-Ethylhexoxy)-2,2-dimethylpropanal
CID 23105282
2-(Hexoxymethyl)butanal
CID 88538288
2-(2-Ethylhexoxymethyl)butanal
CID 88538298
3-(6-Butoxyhexoxy)-2-methylpropanal
CID 91177850
3-Hexoxy-2-methylpropanal
CID 141333322
2-Cyclobutylethyl 3-oxopropanoate
CID 150850666
3-(2-Ethylhexoxy)propanal
CID 63040034
3-(Cyclopentylmethoxy)propanal
CID 66322225
4-(2-Cyclobutylethoxy)butan-2-one
CID 106203261

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclobutylethoxy)propanal?
The IUPAC name of 3-(2-cyclobutylethoxy)propanal (CID 106203331) is 3-(2-cyclobutylethoxy)propanal.
What is the SMILES notation for 3-(2-cyclobutylethoxy)propanal?
The canonical SMILES for 3-(2-cyclobutylethoxy)propanal is O=CCCOCCC1CCC1.
What is the InChIKey of 3-(2-cyclobutylethoxy)propanal?
The InChIKey is UEAQOPZOAMCOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c10-6-2-7-11-8-5-9-3-1-4-9/h6,9H,1-5,7-8H2.
What are the key properties of 3-(2-cyclobutylethoxy)propanal?
3-(2-cyclobutylethoxy)propanal has a molecular weight of 156.22 g/mol, XLogP of 1.78, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclobutylethoxy)propanal is sourced from PubChem (CID 106203331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).