Octahydro-1-(trichloromethyl)pentalene
TL;DR: Octahydro-1-(trichloromethyl)pentalene (CAS 18127-07-6) is a chemical compound with molecular formula C9H13Cl3 and molecular weight 226.00829 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(trichloromethyl)-1,2,3,3a,4,5,6,6a-octahydropentalene
Also Known As: Octahydro-1-(trichloromethyl)pentalene, 1-(trichloromethyl)octahydropentalene, 2-Trichlormethylbicyclo<3,3,0>octan, 1-(trichloromethyl)-1,2,3,3a,4,5,6,6a-octahydropentalene, 1-(TRICHLOROMETHYL)-OCTAHYDROPENTALENE
Technical Specifications
| Molecular Formula | C9H13Cl3 |
| Molecular Weight | 226.00829 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 226.00829 Da |
| Heavy Atoms | 12 |
| Complexity | 173.0 |
| SMILES | C1CC2CCC(C2C1)C(Cl)(Cl)Cl |
| InChIKey | ALVRJPFFWYTSIS-UHFFFAOYSA-N |
Chemical Property Profile of Octahydro-1-(trichloromethyl)pentalene
Property Insights of Octahydro-1-(trichloromethyl)pentalene
The XLogP value of 4.9 indicates that Octahydro-1-(trichloromethyl)pentalene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Octahydro-1-(trichloromethyl)pentalene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octahydro-1-(trichloromethyl)pentalene 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 Octahydro-1-(trichloromethyl)pentalene?
The CAS number of Octahydro-1-(trichloromethyl)pentalene is 18127-07-6.
What is the molecular formula of Octahydro-1-(trichloromethyl)pentalene?
The molecular formula of Octahydro-1-(trichloromethyl)pentalene is C9H13Cl3.
What is the molecular weight of Octahydro-1-(trichloromethyl)pentalene?
The molecular weight of Octahydro-1-(trichloromethyl)pentalene is 226.00829 g/mol.
Where can I buy Octahydro-1-(trichloromethyl)pentalene?
You can request a quote for Octahydro-1-(trichloromethyl)pentalene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Octahydro-1-(trichloromethyl)pentalene?
Yes, CoreyChem provides custom synthesis services for Octahydro-1-(trichloromethyl)pentalene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.