1,2,3,3a,4,6a-Hexahydropentalene
TL;DR: 1,2,3,3a,4,6a-Hexahydropentalene (CAS 5549-09-7) is a chemical compound with molecular formula C8H12 and molecular weight 108.0939 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,2,3,3a,4,6a-hexahydropentalene
Also Known As: Bicyclo[3.3.0]oct-2-ene, 1,2,3,3a,4,6a-Hexahydropentalene, cis-Bicyclo[3.3.0]-2-octene, cis-Bicyclo[3.3.0]oct-2-ene, Pentalene, 1,2,3,3a,4,6a-hexahydro-
Application Areas
Top 5 of 9 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H12 |
| Molecular Weight | 108.0939 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 108.0939 Da |
| Heavy Atoms | 8 |
| Complexity | 113.0 |
| SMILES | C1CC2CC=CC2C1 |
| InChIKey | KEHFJHPSOFFXBO-UHFFFAOYSA-N |
Chemical Property Profile of 1,2,3,3a,4,6a-Hexahydropentalene
Property Insights of 1,2,3,3a,4,6a-Hexahydropentalene
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,3,3a,4,6a-Hexahydropentalene. With a topological polar surface area (TPSA) of 0.0 Ų, 1,2,3,3a,4,6a-Hexahydropentalene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,3,3a,4,6a-Hexahydropentalene has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1,2,3,3a,4,6a-Hexahydropentalene?
The CAS number of 1,2,3,3a,4,6a-Hexahydropentalene is 5549-09-7.
What is the molecular formula of 1,2,3,3a,4,6a-Hexahydropentalene?
The molecular formula of 1,2,3,3a,4,6a-Hexahydropentalene is C8H12.
What is the molecular weight of 1,2,3,3a,4,6a-Hexahydropentalene?
The molecular weight of 1,2,3,3a,4,6a-Hexahydropentalene is 108.0939 g/mol.
Where can I buy 1,2,3,3a,4,6a-Hexahydropentalene?
You can request a quote for 1,2,3,3a,4,6a-Hexahydropentalene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,2,3,3a,4,6a-Hexahydropentalene?
Yes, CoreyChem provides custom synthesis services for 1,2,3,3a,4,6a-Hexahydropentalene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.