tricyclo[5.2.1.02,6]deca-1,4-diene

C10H12 — CID 91243225

IUPACtricyclo[5.2.1.02,6]deca-1,4-diene
SMILESC1=CC2C(=C3CCC2C3)C1
InChIInChI=1S/C10H12/c1-2-9-7-4-5-8(6-7)10(9)3-1/h1-2,7,9H,3-6H2
InChIKeyZCWQTZVUECEZKN-UHFFFAOYSA-N
MW132.21 g/mol
LogP2.67
Rot. Bonds

About tricyclo[5.2.1.02,6]deca-1,4-diene

tricyclo[5.2.1.02,6]deca-1,4-diene (PubChem CID 91243225) has the molecular formula C10H12 and a molecular weight of 132.21 g/mol. Its IUPAC name is tricyclo[5.2.1.02,6]deca-1,4-diene.

Molecular Properties

Compound Nametricyclo[5.2.1.02,6]deca-1,4-diene
PubChem CID91243225
Molecular FormulaC10H12
Molecular Weight132.21 g/mol
Exact Mass132.09
IUPAC Nametricyclo[5.2.1.02,6]deca-1,4-diene
SMILESC1=CC2C(=C3CCC2C3)C1
InChIInChI=1S/C10H12/c1-2-9-7-4-5-8(6-7)10(9)3-1/h1-2,7,9H,3-6H2
InChIKeyZCWQTZVUECEZKN-UHFFFAOYSA-N
XLogP2.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.21
LogP ≤ 52.67
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[5.2.1.02,6]deca-1,4-diene?
The IUPAC name of tricyclo[5.2.1.02,6]deca-1,4-diene (CID 91243225) is tricyclo[5.2.1.02,6]deca-1,4-diene.
What is the SMILES notation for tricyclo[5.2.1.02,6]deca-1,4-diene?
The canonical SMILES for tricyclo[5.2.1.02,6]deca-1,4-diene is C1=CC2C(=C3CCC2C3)C1.
What is the InChIKey of tricyclo[5.2.1.02,6]deca-1,4-diene?
The InChIKey is ZCWQTZVUECEZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12/c1-2-9-7-4-5-8(6-7)10(9)3-1/h1-2,7,9H,3-6H2.
What are the key properties of tricyclo[5.2.1.02,6]deca-1,4-diene?
tricyclo[5.2.1.02,6]deca-1,4-diene has a molecular weight of 132.21 g/mol, XLogP of 2.67, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[5.2.1.02,6]deca-1,4-diene is sourced from PubChem (CID 91243225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).