1-(cyclobutanecarbonyl)cyclobutane-1-carbaldehyde

C10H14O2 — CID 131101925

IUPAC1-(cyclobutanecarbonyl)cyclobutane-1-carbaldehyde
SMILESO=CC1(C(=O)C2CCC2)CCC1
InChIInChI=1S/C10H14O2/c11-7-10(5-2-6-10)9(12)8-3-1-4-8/h7-8H,1-6H2
InChIKeyJGSWYADWGJTCAQ-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.72
Rot. Bonds3

About 1-(cyclobutanecarbonyl)cyclobutane-1-carbaldehyde

1-(cyclobutanecarbonyl)cyclobutane-1-carbaldehyde (PubChem CID 131101925) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 1-(cyclobutanecarbonyl)cyclobutane-1-carbaldehyde.

Molecular Properties

Compound Name1-(cyclobutanecarbonyl)cyclobutane-1-carbaldehyde
PubChem CID131101925
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name1-(cyclobutanecarbonyl)cyclobutane-1-carbaldehyde
SMILESO=CC1(C(=O)C2CCC2)CCC1
InChIInChI=1S/C10H14O2/c11-7-10(5-2-6-10)9(12)8-3-1-4-8/h7-8H,1-6H2
InChIKeyJGSWYADWGJTCAQ-UHFFFAOYSA-N
XLogP1.72
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutanecarbonyl)cyclobutane-1-carbaldehyde?
The IUPAC name of 1-(cyclobutanecarbonyl)cyclobutane-1-carbaldehyde (CID 131101925) is 1-(cyclobutanecarbonyl)cyclobutane-1-carbaldehyde.
What is the SMILES notation for 1-(cyclobutanecarbonyl)cyclobutane-1-carbaldehyde?
The canonical SMILES for 1-(cyclobutanecarbonyl)cyclobutane-1-carbaldehyde is O=CC1(C(=O)C2CCC2)CCC1.
What is the InChIKey of 1-(cyclobutanecarbonyl)cyclobutane-1-carbaldehyde?
The InChIKey is JGSWYADWGJTCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c11-7-10(5-2-6-10)9(12)8-3-1-4-8/h7-8H,1-6H2.
What are the key properties of 1-(cyclobutanecarbonyl)cyclobutane-1-carbaldehyde?
1-(cyclobutanecarbonyl)cyclobutane-1-carbaldehyde has a molecular weight of 166.22 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutanecarbonyl)cyclobutane-1-carbaldehyde is sourced from PubChem (CID 131101925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).