About 8-ethenyl-1,2-dimethylnaphthalene
8-ethenyl-1,2-dimethylnaphthalene (PubChem CID 123674776) has the molecular formula C14H14
and a molecular weight of 182.27 g/mol. Its IUPAC name is 8-ethenyl-1,2-dimethylnaphthalene.
Molecular Properties
| Compound Name | 8-ethenyl-1,2-dimethylnaphthalene |
| PubChem CID | 123674776 |
| Molecular Formula | C14H14 |
| Molecular Weight | 182.27 g/mol |
| Exact Mass | 182.11 |
| IUPAC Name | 8-ethenyl-1,2-dimethylnaphthalene |
| SMILES | C=Cc1cccc2ccc(C)c(C)c12 |
| InChI | InChI=1S/C14H14/c1-4-12-6-5-7-13-9-8-10(2)11(3)14(12)13/h4-9H,1H2,2-3H3 |
| InChIKey | VMNBGKRDPJLRTR-UHFFFAOYSA-N |
| XLogP | 4.10 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 1 |
| Heavy Atoms | 14 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 182.27 |
| LogP ≤ 5 | 4.10 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Analyze 8-ethenyl-1,2-dimethylnaphthalene 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 8-ethenyl-1,2-dimethylnaphthalene?
The IUPAC name of 8-ethenyl-1,2-dimethylnaphthalene (CID 123674776) is 8-ethenyl-1,2-dimethylnaphthalene.
What is the SMILES notation for 8-ethenyl-1,2-dimethylnaphthalene?
The canonical SMILES for 8-ethenyl-1,2-dimethylnaphthalene is C=Cc1cccc2ccc(C)c(C)c12.
What is the InChIKey of 8-ethenyl-1,2-dimethylnaphthalene?
The InChIKey is VMNBGKRDPJLRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14/c1-4-12-6-5-7-13-9-8-10(2)11(3)14(12)13/h4-9H,1H2,2-3H3.
What are the key properties of 8-ethenyl-1,2-dimethylnaphthalene?
8-ethenyl-1,2-dimethylnaphthalene has a molecular weight of 182.27 g/mol, XLogP of 4.10, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethenyl-1,2-dimethylnaphthalene is sourced from PubChem (CID 123674776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).