2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undeca-3,5,9-triene

C15H20 — CID 588771

IUPAC2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undeca-3,5,9-triene
SMILESCC1(C)C2=CC=CC(C)(C)C23C=CC1C3
InChIInChI=1S/C15H20/c1-13(2)8-5-6-12-14(3,4)11-7-9-15(12,13)10-11/h5-9,11H,10H2,1-4H3
InChIKeyMOLSSUUBCUMURN-UHFFFAOYSA-N
MW200.32 g/mol
LogP4.11
Rot. Bonds

About 2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undeca-3,5,9-triene

2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undeca-3,5,9-triene (PubChem CID 588771) has the molecular formula C15H20 and a molecular weight of 200.32 g/mol. Its IUPAC name is 2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undeca-3,5,9-triene.

Molecular Properties

Compound Name2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undeca-3,5,9-triene
PubChem CID588771
Molecular FormulaC15H20
Molecular Weight200.32 g/mol
Exact Mass200.16
IUPAC Name2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undeca-3,5,9-triene
SMILESCC1(C)C2=CC=CC(C)(C)C23C=CC1C3
InChIInChI=1S/C15H20/c1-13(2)8-5-6-12-14(3,4)11-7-9-15(12,13)10-11/h5-9,11H,10H2,1-4H3
InChIKeyMOLSSUUBCUMURN-UHFFFAOYSA-N
XLogP4.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undeca-3,5,9-triene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undeca-3,5,9-triene?
The IUPAC name of 2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undeca-3,5,9-triene (CID 588771) is 2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undeca-3,5,9-triene.
What is the SMILES notation for 2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undeca-3,5,9-triene?
The canonical SMILES for 2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undeca-3,5,9-triene is CC1(C)C2=CC=CC(C)(C)C23C=CC1C3.
What is the InChIKey of 2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undeca-3,5,9-triene?
The InChIKey is MOLSSUUBCUMURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20/c1-13(2)8-5-6-12-14(3,4)11-7-9-15(12,13)10-11/h5-9,11H,10H2,1-4H3.
What are the key properties of 2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undeca-3,5,9-triene?
2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undeca-3,5,9-triene has a molecular weight of 200.32 g/mol, XLogP of 4.11, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undeca-3,5,9-triene is sourced from PubChem (CID 588771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).