9-oxatetracyclo[5.3.1.01,7.04,11]undeca-2,5-diene

C10H10O — CID 139246436

IUPAC9-oxatetracyclo[5.3.1.01,7.04,11]undeca-2,5-diene
SMILESC1=CC23COCC24C=CC1C34
InChIInChI=1S/C10H10O/c1-3-9-5-11-6-10(9)4-2-7(1)8(9)10/h1-4,7-8H,5-6H2
InChIKeyGZOQKUGJGGQWCR-UHFFFAOYSA-N
MW146.19 g/mol
LogP1.38
Rot. Bonds

About 9-oxatetracyclo[5.3.1.01,7.04,11]undeca-2,5-diene

9-oxatetracyclo[5.3.1.01,7.04,11]undeca-2,5-diene (PubChem CID 139246436) has the molecular formula C10H10O and a molecular weight of 146.19 g/mol. Its IUPAC name is 9-oxatetracyclo[5.3.1.01,7.04,11]undeca-2,5-diene.

Molecular Properties

Compound Name9-oxatetracyclo[5.3.1.01,7.04,11]undeca-2,5-diene
PubChem CID139246436
Molecular FormulaC10H10O
Molecular Weight146.19 g/mol
Exact Mass146.07
IUPAC Name9-oxatetracyclo[5.3.1.01,7.04,11]undeca-2,5-diene
SMILESC1=CC23COCC24C=CC1C34
InChIInChI=1S/C10H10O/c1-3-9-5-11-6-10(9)4-2-7(1)8(9)10/h1-4,7-8H,5-6H2
InChIKeyGZOQKUGJGGQWCR-UHFFFAOYSA-N
XLogP1.38
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 ≤ 51.38
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 9-oxatetracyclo[5.3.1.01,7.04,11]undeca-2,5-diene?
The IUPAC name of 9-oxatetracyclo[5.3.1.01,7.04,11]undeca-2,5-diene (CID 139246436) is 9-oxatetracyclo[5.3.1.01,7.04,11]undeca-2,5-diene.
What is the SMILES notation for 9-oxatetracyclo[5.3.1.01,7.04,11]undeca-2,5-diene?
The canonical SMILES for 9-oxatetracyclo[5.3.1.01,7.04,11]undeca-2,5-diene is C1=CC23COCC24C=CC1C34.
What is the InChIKey of 9-oxatetracyclo[5.3.1.01,7.04,11]undeca-2,5-diene?
The InChIKey is GZOQKUGJGGQWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O/c1-3-9-5-11-6-10(9)4-2-7(1)8(9)10/h1-4,7-8H,5-6H2.
What are the key properties of 9-oxatetracyclo[5.3.1.01,7.04,11]undeca-2,5-diene?
9-oxatetracyclo[5.3.1.01,7.04,11]undeca-2,5-diene has a molecular weight of 146.19 g/mol, XLogP of 1.38, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-oxatetracyclo[5.3.1.01,7.04,11]undeca-2,5-diene is sourced from PubChem (CID 139246436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).