8-oxabicyclo[3.2.1]oct-6-ene-3-carbaldehyde

C8H10O2 — CID 18173063

IUPAC8-oxabicyclo[3.2.1]oct-6-ene-3-carbaldehyde
SMILESO=CC1CC2C=CC(C1)O2
InChIInChI=1S/C8H10O2/c9-5-6-3-7-1-2-8(4-6)10-7/h1-2,5-8H,3-4H2
InChIKeyNZIICUZCTSQBEG-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.92
Rot. Bonds1

About 8-oxabicyclo[3.2.1]oct-6-ene-3-carbaldehyde

8-oxabicyclo[3.2.1]oct-6-ene-3-carbaldehyde (PubChem CID 18173063) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is 8-oxabicyclo[3.2.1]oct-6-ene-3-carbaldehyde.

Molecular Properties

Compound Name8-oxabicyclo[3.2.1]oct-6-ene-3-carbaldehyde
PubChem CID18173063
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name8-oxabicyclo[3.2.1]oct-6-ene-3-carbaldehyde
SMILESO=CC1CC2C=CC(C1)O2
InChIInChI=1S/C8H10O2/c9-5-6-3-7-1-2-8(4-6)10-7/h1-2,5-8H,3-4H2
InChIKeyNZIICUZCTSQBEG-UHFFFAOYSA-N
XLogP0.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 8-oxabicyclo[3.2.1]oct-6-ene-3-carbaldehyde?
The IUPAC name of 8-oxabicyclo[3.2.1]oct-6-ene-3-carbaldehyde (CID 18173063) is 8-oxabicyclo[3.2.1]oct-6-ene-3-carbaldehyde.
What is the SMILES notation for 8-oxabicyclo[3.2.1]oct-6-ene-3-carbaldehyde?
The canonical SMILES for 8-oxabicyclo[3.2.1]oct-6-ene-3-carbaldehyde is O=CC1CC2C=CC(C1)O2.
What is the InChIKey of 8-oxabicyclo[3.2.1]oct-6-ene-3-carbaldehyde?
The InChIKey is NZIICUZCTSQBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2/c9-5-6-3-7-1-2-8(4-6)10-7/h1-2,5-8H,3-4H2.
What are the key properties of 8-oxabicyclo[3.2.1]oct-6-ene-3-carbaldehyde?
8-oxabicyclo[3.2.1]oct-6-ene-3-carbaldehyde has a molecular weight of 138.17 g/mol, XLogP of 0.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-oxabicyclo[3.2.1]oct-6-ene-3-carbaldehyde is sourced from PubChem (CID 18173063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).