5-methyltricyclo[5.2.1.02,6]deca-3,8-diene

C11H14 — CID 19967616

IUPAC5-methyltricyclo[5.2.1.02,6]deca-3,8-diene
SMILESCC1C=CC2C3C=CC(C3)C12
InChIInChI=1S/C11H14/c1-7-2-5-10-8-3-4-9(6-8)11(7)10/h2-5,7-11H,6H2,1H3
InChIKeyVRLWYYZVFNNMET-UHFFFAOYSA-N
MW146.23 g/mol
LogP2.63
Rot. Bonds

About 5-methyltricyclo[5.2.1.02,6]deca-3,8-diene

5-methyltricyclo[5.2.1.02,6]deca-3,8-diene (PubChem CID 19967616) has the molecular formula C11H14 and a molecular weight of 146.23 g/mol. Its IUPAC name is 5-methyltricyclo[5.2.1.02,6]deca-3,8-diene.

Molecular Properties

Compound Name5-methyltricyclo[5.2.1.02,6]deca-3,8-diene
PubChem CID19967616
Molecular FormulaC11H14
Molecular Weight146.23 g/mol
Exact Mass146.11
IUPAC Name5-methyltricyclo[5.2.1.02,6]deca-3,8-diene
SMILESCC1C=CC2C3C=CC(C3)C12
InChIInChI=1S/C11H14/c1-7-2-5-10-8-3-4-9(6-8)11(7)10/h2-5,7-11H,6H2,1H3
InChIKeyVRLWYYZVFNNMET-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
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 5-methyltricyclo[5.2.1.02,6]deca-3,8-diene?
The IUPAC name of 5-methyltricyclo[5.2.1.02,6]deca-3,8-diene (CID 19967616) is 5-methyltricyclo[5.2.1.02,6]deca-3,8-diene.
What is the SMILES notation for 5-methyltricyclo[5.2.1.02,6]deca-3,8-diene?
The canonical SMILES for 5-methyltricyclo[5.2.1.02,6]deca-3,8-diene is CC1C=CC2C3C=CC(C3)C12.
What is the InChIKey of 5-methyltricyclo[5.2.1.02,6]deca-3,8-diene?
The InChIKey is VRLWYYZVFNNMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14/c1-7-2-5-10-8-3-4-9(6-8)11(7)10/h2-5,7-11H,6H2,1H3.
What are the key properties of 5-methyltricyclo[5.2.1.02,6]deca-3,8-diene?
5-methyltricyclo[5.2.1.02,6]deca-3,8-diene has a molecular weight of 146.23 g/mol, XLogP of 2.63, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyltricyclo[5.2.1.02,6]deca-3,8-diene is sourced from PubChem (CID 19967616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).