11,11-dimethyltricyclo[4.4.1.01,6]undeca-2,4,7,9-tetraene

C13H14 — CID 593329

IUPAC11,11-dimethyltricyclo[4.4.1.01,6]undeca-2,4,7,9-tetraene
SMILESCC1(C)C23C=CC=CC12C=CC=C3
InChIInChI=1S/C13H14/c1-11(2)12-7-3-4-8-13(11,12)10-6-5-9-12/h3-10H,1-2H3
InChIKeyWRGMLZGHCJHBKI-UHFFFAOYSA-N
MW170.25 g/mol
LogP3.25
Rot. Bonds

About 11,11-dimethyltricyclo[4.4.1.01,6]undeca-2,4,7,9-tetraene

11,11-dimethyltricyclo[4.4.1.01,6]undeca-2,4,7,9-tetraene (PubChem CID 593329) has the molecular formula C13H14 and a molecular weight of 170.25 g/mol. Its IUPAC name is 11,11-dimethyltricyclo[4.4.1.01,6]undeca-2,4,7,9-tetraene.

Molecular Properties

Compound Name11,11-dimethyltricyclo[4.4.1.01,6]undeca-2,4,7,9-tetraene
PubChem CID593329
Molecular FormulaC13H14
Molecular Weight170.25 g/mol
Exact Mass170.11
IUPAC Name11,11-dimethyltricyclo[4.4.1.01,6]undeca-2,4,7,9-tetraene
SMILESCC1(C)C23C=CC=CC12C=CC=C3
InChIInChI=1S/C13H14/c1-11(2)12-7-3-4-8-13(11,12)10-6-5-9-12/h3-10H,1-2H3
InChIKeyWRGMLZGHCJHBKI-UHFFFAOYSA-N
XLogP3.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 11,11-dimethyltricyclo[4.4.1.01,6]undeca-2,4,7,9-tetraene 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 11,11-dimethyltricyclo[4.4.1.01,6]undeca-2,4,7,9-tetraene?
The IUPAC name of 11,11-dimethyltricyclo[4.4.1.01,6]undeca-2,4,7,9-tetraene (CID 593329) is 11,11-dimethyltricyclo[4.4.1.01,6]undeca-2,4,7,9-tetraene.
What is the SMILES notation for 11,11-dimethyltricyclo[4.4.1.01,6]undeca-2,4,7,9-tetraene?
The canonical SMILES for 11,11-dimethyltricyclo[4.4.1.01,6]undeca-2,4,7,9-tetraene is CC1(C)C23C=CC=CC12C=CC=C3.
What is the InChIKey of 11,11-dimethyltricyclo[4.4.1.01,6]undeca-2,4,7,9-tetraene?
The InChIKey is WRGMLZGHCJHBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14/c1-11(2)12-7-3-4-8-13(11,12)10-6-5-9-12/h3-10H,1-2H3.
What are the key properties of 11,11-dimethyltricyclo[4.4.1.01,6]undeca-2,4,7,9-tetraene?
11,11-dimethyltricyclo[4.4.1.01,6]undeca-2,4,7,9-tetraene has a molecular weight of 170.25 g/mol, XLogP of 3.25, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 11,11-dimethyltricyclo[4.4.1.01,6]undeca-2,4,7,9-tetraene is sourced from PubChem (CID 593329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).