2-(6,6-Dimethylbicyclo(3.1.1)hept-2-yl)ethyl acetate
TL;DR: 2-(6,6-Dimethylbicyclo(3.1.1)hept-2-yl)ethyl acetate (CAS 14087-09-3) is a chemical compound with molecular formula C13H22O2 and molecular weight 210.16199 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)ethyl acetate
Also Known As: 2-(6,6-Dimethylbicyclo(3.1.1)hept-2-yl)ethyl acetate, 2-(6,6-dimethylbicyclo[3.1.1]hept-2-yl)ethyl acetate, 6,6-Dimethylbicyclo[3.1.1]heptane-2-ethanol acetate, 2-(6,6-dimethyl-4-bicyclo[3.1.1]heptanyl)ethyl acetate, 2-(6,6-Dimethylbicyclo[3.1.1]heptan-2-yl)ethyl acetate
Technical Specifications
| Molecular Formula | C13H22O2 |
| Molecular Weight | 210.16199 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 210.16199 Da |
| Heavy Atoms | 15 |
| Complexity | 257.0 |
| SMILES | CC(=O)OCCC1CCC2CC1C2(C)C |
| InChIKey | UZGHWQCIIVCZLR-UHFFFAOYSA-N |
Chemical Property Profile of 2-(6,6-Dimethylbicyclo(3.1.1)hept-2-yl)ethyl acetate
Property Insights of 2-(6,6-Dimethylbicyclo(3.1.1)hept-2-yl)ethyl acetate
The XLogP value of 3.6 indicates that 2-(6,6-Dimethylbicyclo(3.1.1)hept-2-yl)ethyl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 2-(6,6-Dimethylbicyclo(3.1.1)hept-2-yl)ethyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(6,6-Dimethylbicyclo(3.1.1)hept-2-yl)ethyl acetate 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 2-(6,6-Dimethylbicyclo(3.1.1)hept-2-yl)ethyl acetate?
The CAS number of 2-(6,6-Dimethylbicyclo(3.1.1)hept-2-yl)ethyl acetate is 14087-09-3.
What is the molecular formula of 2-(6,6-Dimethylbicyclo(3.1.1)hept-2-yl)ethyl acetate?
The molecular formula of 2-(6,6-Dimethylbicyclo(3.1.1)hept-2-yl)ethyl acetate is C13H22O2.
What is the molecular weight of 2-(6,6-Dimethylbicyclo(3.1.1)hept-2-yl)ethyl acetate?
The molecular weight of 2-(6,6-Dimethylbicyclo(3.1.1)hept-2-yl)ethyl acetate is 210.16199 g/mol.
Where can I buy 2-(6,6-Dimethylbicyclo(3.1.1)hept-2-yl)ethyl acetate?
You can request a quote for 2-(6,6-Dimethylbicyclo(3.1.1)hept-2-yl)ethyl acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(6,6-Dimethylbicyclo(3.1.1)hept-2-yl)ethyl acetate?
Yes, CoreyChem provides custom synthesis services for 2-(6,6-Dimethylbicyclo(3.1.1)hept-2-yl)ethyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.