4,11-dioxatricyclo[6.2.1.02,7]undeca-6,9-diene

C9H10O2 — CID 561602

IUPAC4,11-dioxatricyclo[6.2.1.02,7]undeca-6,9-diene
SMILESC1=CC2OC1C1=CCOCC12
InChIInChI=1S/C9H10O2/c1-2-9-7-5-10-4-3-6(7)8(1)11-9/h1-3,7-9H,4-5H2
InChIKeyWJMOZVCIKKEEFP-UHFFFAOYSA-N
MW150.18 g/mol
LogP0.90
Rot. Bonds

About 4,11-dioxatricyclo[6.2.1.02,7]undeca-6,9-diene

4,11-dioxatricyclo[6.2.1.02,7]undeca-6,9-diene (PubChem CID 561602) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is 4,11-dioxatricyclo[6.2.1.02,7]undeca-6,9-diene.

Molecular Properties

Compound Name4,11-dioxatricyclo[6.2.1.02,7]undeca-6,9-diene
PubChem CID561602
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name4,11-dioxatricyclo[6.2.1.02,7]undeca-6,9-diene
SMILESC1=CC2OC1C1=CCOCC12
InChIInChI=1S/C9H10O2/c1-2-9-7-5-10-4-3-6(7)8(1)11-9/h1-3,7-9H,4-5H2
InChIKeyWJMOZVCIKKEEFP-UHFFFAOYSA-N
XLogP0.90
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 4,11-dioxatricyclo[6.2.1.02,7]undeca-6,9-diene?
The IUPAC name of 4,11-dioxatricyclo[6.2.1.02,7]undeca-6,9-diene (CID 561602) is 4,11-dioxatricyclo[6.2.1.02,7]undeca-6,9-diene.
What is the SMILES notation for 4,11-dioxatricyclo[6.2.1.02,7]undeca-6,9-diene?
The canonical SMILES for 4,11-dioxatricyclo[6.2.1.02,7]undeca-6,9-diene is C1=CC2OC1C1=CCOCC12.
What is the InChIKey of 4,11-dioxatricyclo[6.2.1.02,7]undeca-6,9-diene?
The InChIKey is WJMOZVCIKKEEFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2/c1-2-9-7-5-10-4-3-6(7)8(1)11-9/h1-3,7-9H,4-5H2.
What are the key properties of 4,11-dioxatricyclo[6.2.1.02,7]undeca-6,9-diene?
4,11-dioxatricyclo[6.2.1.02,7]undeca-6,9-diene has a molecular weight of 150.18 g/mol, XLogP of 0.90, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,11-dioxatricyclo[6.2.1.02,7]undeca-6,9-diene is sourced from PubChem (CID 561602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).