TL;DR: 5-Ethenylcyclopenta-1,3-diene (CAS 29647-85-6) is a chemical compound with molecular formula C7H8 and molecular weight 92.0626 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-ethenylcyclopenta-1,3-diene
Also Known As: 5-ethenylcyclopenta-1,3-diene, 1-Vinyl-2,4-cyclopentadiene, 5-Vinyl-1,3-cyclopentadiene, 1,3-Cyclopentadiene,5-ethenyl, 1-Ethenyl-2,4-cyclopentadiene
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C7H8 |
| Molecular Weight | 92.0626 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 92.0626 Da |
| Heavy Atoms | 7 |
| Complexity | 106.0 |
| SMILES | C=CC1C=CC=C1 |
| InChIKey | NIZYPQPOJRRFOA-UHFFFAOYSA-N |
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Ethenylcyclopenta-1,3-diene. With a topological polar surface area (TPSA) of 0.0 Ų, 5-Ethenylcyclopenta-1,3-diene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Ethenylcyclopenta-1,3-diene has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 5-Ethenylcyclopenta-1,3-diene is 29647-85-6.
The molecular formula of 5-Ethenylcyclopenta-1,3-diene is C7H8.
The molecular weight of 5-Ethenylcyclopenta-1,3-diene is 92.0626 g/mol.
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