11-oxatricyclo[8.2.2.02,9]tetradec-13-en-12-one

C13H18O2 — CID 135055117

IUPAC11-oxatricyclo[8.2.2.02,9]tetradec-13-en-12-one
SMILESO=C1OC2C=CC1C1CCCCCCC21
InChIInChI=1S/C13H18O2/c14-13-11-7-8-12(15-13)10-6-4-2-1-3-5-9(10)11/h7-12H,1-6H2
InChIKeyQOYBSOFBASAIEZ-UHFFFAOYSA-N
MW206.28 g/mol
LogP2.68
Rot. Bonds

About 11-oxatricyclo[8.2.2.02,9]tetradec-13-en-12-one

11-oxatricyclo[8.2.2.02,9]tetradec-13-en-12-one (PubChem CID 135055117) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 11-oxatricyclo[8.2.2.02,9]tetradec-13-en-12-one.

Molecular Properties

Compound Name11-oxatricyclo[8.2.2.02,9]tetradec-13-en-12-one
PubChem CID135055117
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name11-oxatricyclo[8.2.2.02,9]tetradec-13-en-12-one
SMILESO=C1OC2C=CC1C1CCCCCCC21
InChIInChI=1S/C13H18O2/c14-13-11-7-8-12(15-13)10-6-4-2-1-3-5-9(10)11/h7-12H,1-6H2
InChIKeyQOYBSOFBASAIEZ-UHFFFAOYSA-N
XLogP2.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 52.68
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 11-oxatricyclo[8.2.2.02,9]tetradec-13-en-12-one?
The IUPAC name of 11-oxatricyclo[8.2.2.02,9]tetradec-13-en-12-one (CID 135055117) is 11-oxatricyclo[8.2.2.02,9]tetradec-13-en-12-one.
What is the SMILES notation for 11-oxatricyclo[8.2.2.02,9]tetradec-13-en-12-one?
The canonical SMILES for 11-oxatricyclo[8.2.2.02,9]tetradec-13-en-12-one is O=C1OC2C=CC1C1CCCCCCC21.
What is the InChIKey of 11-oxatricyclo[8.2.2.02,9]tetradec-13-en-12-one?
The InChIKey is QOYBSOFBASAIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c14-13-11-7-8-12(15-13)10-6-4-2-1-3-5-9(10)11/h7-12H,1-6H2.
What are the key properties of 11-oxatricyclo[8.2.2.02,9]tetradec-13-en-12-one?
11-oxatricyclo[8.2.2.02,9]tetradec-13-en-12-one has a molecular weight of 206.28 g/mol, XLogP of 2.68, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-oxatricyclo[8.2.2.02,9]tetradec-13-en-12-one is sourced from PubChem (CID 135055117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).