tricyclo[5.3.1.04,9]undeca-2,5-diene

C11H14 — CID 556439

IUPACtricyclo[5.3.1.04,9]undeca-2,5-diene
SMILESC1=CC2C=CC3CC1CC2C3
InChIInChI=1S/C11H14/c1-3-10-4-2-9-5-8(1)6-11(10)7-9/h1-4,8-11H,5-7H2
InChIKeyXGXAULPCJNRIKG-UHFFFAOYSA-N
MW146.23 g/mol
LogP2.77
Rot. Bonds

About tricyclo[5.3.1.04,9]undeca-2,5-diene

tricyclo[5.3.1.04,9]undeca-2,5-diene (PubChem CID 556439) has the molecular formula C11H14 and a molecular weight of 146.23 g/mol. Its IUPAC name is tricyclo[5.3.1.04,9]undeca-2,5-diene.

Molecular Properties

Compound Nametricyclo[5.3.1.04,9]undeca-2,5-diene
PubChem CID556439
Molecular FormulaC11H14
Molecular Weight146.23 g/mol
Exact Mass146.11
IUPAC Nametricyclo[5.3.1.04,9]undeca-2,5-diene
SMILESC1=CC2C=CC3CC1CC2C3
InChIInChI=1S/C11H14/c1-3-10-4-2-9-5-8(1)6-11(10)7-9/h1-4,8-11H,5-7H2
InChIKeyXGXAULPCJNRIKG-UHFFFAOYSA-N
XLogP2.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 tricyclo[5.3.1.04,9]undeca-2,5-diene?
The IUPAC name of tricyclo[5.3.1.04,9]undeca-2,5-diene (CID 556439) is tricyclo[5.3.1.04,9]undeca-2,5-diene.
What is the SMILES notation for tricyclo[5.3.1.04,9]undeca-2,5-diene?
The canonical SMILES for tricyclo[5.3.1.04,9]undeca-2,5-diene is C1=CC2C=CC3CC1CC2C3.
What is the InChIKey of tricyclo[5.3.1.04,9]undeca-2,5-diene?
The InChIKey is XGXAULPCJNRIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14/c1-3-10-4-2-9-5-8(1)6-11(10)7-9/h1-4,8-11H,5-7H2.
What are the key properties of tricyclo[5.3.1.04,9]undeca-2,5-diene?
tricyclo[5.3.1.04,9]undeca-2,5-diene has a molecular weight of 146.23 g/mol, XLogP of 2.77, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[5.3.1.04,9]undeca-2,5-diene is sourced from PubChem (CID 556439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).