About 3,5-dimethylidenecyclohexene
3,5-dimethylidenecyclohexene (PubChem CID 13402708) has the molecular formula C8H10
and a molecular weight of 106.17 g/mol. Its IUPAC name is 3,5-dimethylidenecyclohexene.
Molecular Properties
| Compound Name | 3,5-dimethylidenecyclohexene |
|---|
| PubChem CID | 13402708 |
|---|
| Molecular Formula | C8H10 |
|---|
| Molecular Weight | 106.17 g/mol |
|---|
| Exact Mass | 106.08 |
|---|
| IUPAC Name | 3,5-dimethylidenecyclohexene |
|---|
| SMILES | C=C1C=CCC(=C)C1 |
|---|
| InChI | InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-4H,1-2,5-6H2 |
|---|
| InChIKey | WTQHNWLXESYFAM-UHFFFAOYSA-N |
|---|
| XLogP | 2.45 |
|---|
| TPSA | 0.00 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | |
|---|
| Rotatable Bonds | |
|---|
| Heavy Atoms | 8 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 106.17 |
| LogP ≤ 5 | 2.45 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'isolated_alkene', 'substructure': 'N/A'} |
|---|
Analyze 3,5-dimethylidenecyclohexene 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 3,5-dimethylidenecyclohexene?
The IUPAC name of 3,5-dimethylidenecyclohexene (CID 13402708) is 3,5-dimethylidenecyclohexene.
What is the SMILES notation for 3,5-dimethylidenecyclohexene?
The canonical SMILES for 3,5-dimethylidenecyclohexene is C=C1C=CCC(=C)C1.
What is the InChIKey of 3,5-dimethylidenecyclohexene?
The InChIKey is WTQHNWLXESYFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-4H,1-2,5-6H2.
What are the key properties of 3,5-dimethylidenecyclohexene?
3,5-dimethylidenecyclohexene has a molecular weight of 106.17 g/mol, XLogP of 2.45, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethylidenecyclohexene is sourced from PubChem (CID 13402708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).