![1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl pentanoate structure](/static/products/2027/20279-31-6.webp)
1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl pentanoate
TL;DR: 1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl pentanoate (CAS 20279-31-6) is a chemical compound with molecular formula C15H26O2 and molecular weight 238.19328 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) pentanoate
Also Known As: BORNYL VALERATE, Bornyl pentanoate, bornylvalerianat, Borneol valerate, Bornyl valerianate
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C15H26O2 |
| Molecular Weight | 238.19328 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 238.19328 Da |
| Heavy Atoms | 17 |
| Complexity | 308.0 |
| Boiling Point | 136.00 °C. @ 12.00 mm Hg |
| SMILES | CCCCC(=O)OC1CC2CCC1(C2(C)C)C |
| InChIKey | ILUAVCBOWYHFAI-UHFFFAOYSA-N |
Chemical Property Profile of 1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl pentanoate
Property Insights of 1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl pentanoate
The XLogP value of 4.7 indicates that 1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl pentanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl pentanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl pentanoate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl pentanoate?
The CAS number of 1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl pentanoate is 20279-31-6.
What is the molecular formula of 1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl pentanoate?
The molecular formula of 1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl pentanoate is C15H26O2.
What is the molecular weight of 1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl pentanoate?
The molecular weight of 1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl pentanoate is 238.19328 g/mol.
Where can I buy 1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl pentanoate?
You can request a quote for 1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl pentanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl pentanoate?
Yes, CoreyChem provides custom synthesis services for 1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl pentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.