2-cyclobutylacetaldehyde

C6H10O — CID 22386168

IUPAC2-cyclobutylacetaldehyde
SMILESO=CCC1CCC1
InChIInChI=1S/C6H10O/c7-5-4-6-2-1-3-6/h5-6H,1-4H2
InChIKeyGBTLVTGTSKWGCQ-UHFFFAOYSA-N
MW98.14 g/mol
LogP1.38
Rot. Bonds2

About 2-cyclobutylacetaldehyde

2-cyclobutylacetaldehyde (PubChem CID 22386168) has the molecular formula C6H10O and a molecular weight of 98.14 g/mol. Its IUPAC name is 2-cyclobutylacetaldehyde.

Molecular Properties

Compound Name2-cyclobutylacetaldehyde
PubChem CID22386168
Molecular FormulaC6H10O
Molecular Weight98.14 g/mol
Exact Mass98.07
IUPAC Name2-cyclobutylacetaldehyde
SMILESO=CCC1CCC1
InChIInChI=1S/C6H10O/c7-5-4-6-2-1-3-6/h5-6H,1-4H2
InChIKeyGBTLVTGTSKWGCQ-UHFFFAOYSA-N
XLogP1.38
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.14
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-cyclobutylacetaldehyde?
The IUPAC name of 2-cyclobutylacetaldehyde (CID 22386168) is 2-cyclobutylacetaldehyde.
What is the SMILES notation for 2-cyclobutylacetaldehyde?
The canonical SMILES for 2-cyclobutylacetaldehyde is O=CCC1CCC1.
What is the InChIKey of 2-cyclobutylacetaldehyde?
The InChIKey is GBTLVTGTSKWGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O/c7-5-4-6-2-1-3-6/h5-6H,1-4H2.
What are the key properties of 2-cyclobutylacetaldehyde?
2-cyclobutylacetaldehyde has a molecular weight of 98.14 g/mol, XLogP of 1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutylacetaldehyde is sourced from PubChem (CID 22386168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).