11-oxatricyclo[6.2.1.02,7]undeca-2,5,9-triene

C10H10O — CID 134977567

IUPAC11-oxatricyclo[6.2.1.02,7]undeca-2,5,9-triene
SMILESC1=CC2C(=CC1)C1C=CC2O1
InChIInChI=1S/C10H10O/c1-2-4-8-7(3-1)9-5-6-10(8)11-9/h1,3-7,9-10H,2H2
InChIKeyQAPFWVIEBOZFFB-UHFFFAOYSA-N
MW146.19 g/mol
LogP1.83
Rot. Bonds

About 11-oxatricyclo[6.2.1.02,7]undeca-2,5,9-triene

11-oxatricyclo[6.2.1.02,7]undeca-2,5,9-triene (PubChem CID 134977567) has the molecular formula C10H10O and a molecular weight of 146.19 g/mol. Its IUPAC name is 11-oxatricyclo[6.2.1.02,7]undeca-2,5,9-triene.

Molecular Properties

Compound Name11-oxatricyclo[6.2.1.02,7]undeca-2,5,9-triene
PubChem CID134977567
Molecular FormulaC10H10O
Molecular Weight146.19 g/mol
Exact Mass146.07
IUPAC Name11-oxatricyclo[6.2.1.02,7]undeca-2,5,9-triene
SMILESC1=CC2C(=CC1)C1C=CC2O1
InChIInChI=1S/C10H10O/c1-2-4-8-7(3-1)9-5-6-10(8)11-9/h1,3-7,9-10H,2H2
InChIKeyQAPFWVIEBOZFFB-UHFFFAOYSA-N
XLogP1.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 11-oxatricyclo[6.2.1.02,7]undeca-2,5,9-triene?
The IUPAC name of 11-oxatricyclo[6.2.1.02,7]undeca-2,5,9-triene (CID 134977567) is 11-oxatricyclo[6.2.1.02,7]undeca-2,5,9-triene.
What is the SMILES notation for 11-oxatricyclo[6.2.1.02,7]undeca-2,5,9-triene?
The canonical SMILES for 11-oxatricyclo[6.2.1.02,7]undeca-2,5,9-triene is C1=CC2C(=CC1)C1C=CC2O1.
What is the InChIKey of 11-oxatricyclo[6.2.1.02,7]undeca-2,5,9-triene?
The InChIKey is QAPFWVIEBOZFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O/c1-2-4-8-7(3-1)9-5-6-10(8)11-9/h1,3-7,9-10H,2H2.
What are the key properties of 11-oxatricyclo[6.2.1.02,7]undeca-2,5,9-triene?
11-oxatricyclo[6.2.1.02,7]undeca-2,5,9-triene has a molecular weight of 146.19 g/mol, XLogP of 1.83, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-oxatricyclo[6.2.1.02,7]undeca-2,5,9-triene is sourced from PubChem (CID 134977567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).