7-oxabicyclo[2.2.1]hept-5-ene-1,3-dicarbaldehyde

C8H8O3 — CID 134437578

IUPAC7-oxabicyclo[2.2.1]hept-5-ene-1,3-dicarbaldehyde
SMILESO=CC1CC2(C=O)C=CC1O2
InChIInChI=1S/C8H8O3/c9-4-6-3-8(5-10)2-1-7(6)11-8/h1-2,4-7H,3H2
InChIKeyKLSZHROYDAJJLQ-UHFFFAOYSA-N
MW152.15 g/mol
LogP0.10
Rot. Bonds2

About 7-oxabicyclo[2.2.1]hept-5-ene-1,3-dicarbaldehyde

7-oxabicyclo[2.2.1]hept-5-ene-1,3-dicarbaldehyde (PubChem CID 134437578) has the molecular formula C8H8O3 and a molecular weight of 152.15 g/mol. Its IUPAC name is 7-oxabicyclo[2.2.1]hept-5-ene-1,3-dicarbaldehyde.

Molecular Properties

Compound Name7-oxabicyclo[2.2.1]hept-5-ene-1,3-dicarbaldehyde
PubChem CID134437578
Molecular FormulaC8H8O3
Molecular Weight152.15 g/mol
Exact Mass152.05
IUPAC Name7-oxabicyclo[2.2.1]hept-5-ene-1,3-dicarbaldehyde
SMILESO=CC1CC2(C=O)C=CC1O2
InChIInChI=1S/C8H8O3/c9-4-6-3-8(5-10)2-1-7(6)11-8/h1-2,4-7H,3H2
InChIKeyKLSZHROYDAJJLQ-UHFFFAOYSA-N
XLogP0.10
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 50.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-oxabicyclo[2.2.1]hept-5-ene-1,3-dicarbaldehyde?
The IUPAC name of 7-oxabicyclo[2.2.1]hept-5-ene-1,3-dicarbaldehyde (CID 134437578) is 7-oxabicyclo[2.2.1]hept-5-ene-1,3-dicarbaldehyde.
What is the SMILES notation for 7-oxabicyclo[2.2.1]hept-5-ene-1,3-dicarbaldehyde?
The canonical SMILES for 7-oxabicyclo[2.2.1]hept-5-ene-1,3-dicarbaldehyde is O=CC1CC2(C=O)C=CC1O2.
What is the InChIKey of 7-oxabicyclo[2.2.1]hept-5-ene-1,3-dicarbaldehyde?
The InChIKey is KLSZHROYDAJJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O3/c9-4-6-3-8(5-10)2-1-7(6)11-8/h1-2,4-7H,3H2.
What are the key properties of 7-oxabicyclo[2.2.1]hept-5-ene-1,3-dicarbaldehyde?
7-oxabicyclo[2.2.1]hept-5-ene-1,3-dicarbaldehyde has a molecular weight of 152.15 g/mol, XLogP of 0.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxabicyclo[2.2.1]hept-5-ene-1,3-dicarbaldehyde is sourced from PubChem (CID 134437578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).