8,9-dimethylidenebicyclo[4.4.1]undeca-1(10),2,4,6-tetraene

C13H12 — CID 15528895

IUPAC8,9-dimethylidenebicyclo[4.4.1]undeca-1(10),2,4,6-tetraene
SMILESC=C1C=C2C=CC=CC(=CC1=C)C2
InChIInChI=1S/C13H12/c1-10-7-12-5-3-4-6-13(9-12)8-11(10)2/h3-8H,1-2,9H2
InChIKeyJEBPITAEJUMHAD-UHFFFAOYSA-N
MW168.24 g/mol
LogP3.48
Rot. Bonds

About 8,9-dimethylidenebicyclo[4.4.1]undeca-1(10),2,4,6-tetraene

8,9-dimethylidenebicyclo[4.4.1]undeca-1(10),2,4,6-tetraene (PubChem CID 15528895) has the molecular formula C13H12 and a molecular weight of 168.24 g/mol. Its IUPAC name is 8,9-dimethylidenebicyclo[4.4.1]undeca-1(10),2,4,6-tetraene.

Molecular Properties

Compound Name8,9-dimethylidenebicyclo[4.4.1]undeca-1(10),2,4,6-tetraene
PubChem CID15528895
Molecular FormulaC13H12
Molecular Weight168.24 g/mol
Exact Mass168.09
IUPAC Name8,9-dimethylidenebicyclo[4.4.1]undeca-1(10),2,4,6-tetraene
SMILESC=C1C=C2C=CC=CC(=CC1=C)C2
InChIInChI=1S/C13H12/c1-10-7-12-5-3-4-6-13(9-12)8-11(10)2/h3-8H,1-2,9H2
InChIKeyJEBPITAEJUMHAD-UHFFFAOYSA-N
XLogP3.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 8,9-dimethylidenebicyclo[4.4.1]undeca-1(10),2,4,6-tetraene?
The IUPAC name of 8,9-dimethylidenebicyclo[4.4.1]undeca-1(10),2,4,6-tetraene (CID 15528895) is 8,9-dimethylidenebicyclo[4.4.1]undeca-1(10),2,4,6-tetraene.
What is the SMILES notation for 8,9-dimethylidenebicyclo[4.4.1]undeca-1(10),2,4,6-tetraene?
The canonical SMILES for 8,9-dimethylidenebicyclo[4.4.1]undeca-1(10),2,4,6-tetraene is C=C1C=C2C=CC=CC(=CC1=C)C2.
What is the InChIKey of 8,9-dimethylidenebicyclo[4.4.1]undeca-1(10),2,4,6-tetraene?
The InChIKey is JEBPITAEJUMHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12/c1-10-7-12-5-3-4-6-13(9-12)8-11(10)2/h3-8H,1-2,9H2.
What are the key properties of 8,9-dimethylidenebicyclo[4.4.1]undeca-1(10),2,4,6-tetraene?
8,9-dimethylidenebicyclo[4.4.1]undeca-1(10),2,4,6-tetraene has a molecular weight of 168.24 g/mol, XLogP of 3.48, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-dimethylidenebicyclo[4.4.1]undeca-1(10),2,4,6-tetraene is sourced from PubChem (CID 15528895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).