bicyclo[4.2.0]octa-1(6),2,4-triene-2-carbaldehyde

C9H8O — CID 10855492

IUPACbicyclo[4.2.0]octa-1(6),2,4-triene-2-carbaldehyde
SMILESO=Cc1cccc2c1CC2
InChIInChI=1S/C9H8O/c10-6-8-3-1-2-7-4-5-9(7)8/h1-3,6H,4-5H2
InChIKeyGQTWBQNTBUAHGD-UHFFFAOYSA-N
MW132.16 g/mol
LogP1.60
Rot. Bonds1

About bicyclo[4.2.0]octa-1(6),2,4-triene-2-carbaldehyde

bicyclo[4.2.0]octa-1(6),2,4-triene-2-carbaldehyde (PubChem CID 10855492) has the molecular formula C9H8O and a molecular weight of 132.16 g/mol. Its IUPAC name is bicyclo[4.2.0]octa-1(6),2,4-triene-2-carbaldehyde.

Molecular Properties

Compound Namebicyclo[4.2.0]octa-1(6),2,4-triene-2-carbaldehyde
PubChem CID10855492
Molecular FormulaC9H8O
Molecular Weight132.16 g/mol
Exact Mass132.06
IUPAC Namebicyclo[4.2.0]octa-1(6),2,4-triene-2-carbaldehyde
SMILESO=Cc1cccc2c1CC2
InChIInChI=1S/C9H8O/c10-6-8-3-1-2-7-4-5-9(7)8/h1-3,6H,4-5H2
InChIKeyGQTWBQNTBUAHGD-UHFFFAOYSA-N
XLogP1.60
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 51.60
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 bicyclo[4.2.0]octa-1(6),2,4-triene-2-carbaldehyde?
The IUPAC name of bicyclo[4.2.0]octa-1(6),2,4-triene-2-carbaldehyde (CID 10855492) is bicyclo[4.2.0]octa-1(6),2,4-triene-2-carbaldehyde.
What is the SMILES notation for bicyclo[4.2.0]octa-1(6),2,4-triene-2-carbaldehyde?
The canonical SMILES for bicyclo[4.2.0]octa-1(6),2,4-triene-2-carbaldehyde is O=Cc1cccc2c1CC2.
What is the InChIKey of bicyclo[4.2.0]octa-1(6),2,4-triene-2-carbaldehyde?
The InChIKey is GQTWBQNTBUAHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O/c10-6-8-3-1-2-7-4-5-9(7)8/h1-3,6H,4-5H2.
What are the key properties of bicyclo[4.2.0]octa-1(6),2,4-triene-2-carbaldehyde?
bicyclo[4.2.0]octa-1(6),2,4-triene-2-carbaldehyde has a molecular weight of 132.16 g/mol, XLogP of 1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[4.2.0]octa-1(6),2,4-triene-2-carbaldehyde is sourced from PubChem (CID 10855492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).