1-(3,3-Dimethylbicyclo(2.2.1)hept-2-yl)ethane-1-one
TL;DR: 1-(3,3-Dimethylbicyclo(2.2.1)hept-2-yl)ethane-1-one (CAS 1221276-32-9) is a chemical compound with molecular formula C11H18O and molecular weight 166.13577 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)ethanone
Also Known As: Camek dh, herbal ethanone, 2-Acetyl-3,3-dimethylnorbomane, 2-acetyl-3,3-dimethylnorbornane, KST-1B5144
Application Areas
Top 5 of 7 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H18O |
| Molecular Weight | 166.13577 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 166.13577 Da |
| Heavy Atoms | 12 |
| Complexity | 217.0 |
| SMILES | CC(=O)C1C2CCC(C2)C1(C)C |
| InChIKey | NGTMQRCBACIUES-UHFFFAOYSA-N |
Chemical Property Profile of 1-(3,3-Dimethylbicyclo(2.2.1)hept-2-yl)ethane-1-one
Property Insights of 1-(3,3-Dimethylbicyclo(2.2.1)hept-2-yl)ethane-1-one
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3,3-Dimethylbicyclo(2.2.1)hept-2-yl)ethane-1-one. With a topological polar surface area (TPSA) of 17.1 Ų, 1-(3,3-Dimethylbicyclo(2.2.1)hept-2-yl)ethane-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3,3-Dimethylbicyclo(2.2.1)hept-2-yl)ethane-1-one has 0 hydrogen bond donor(s) and 1 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-(3,3-Dimethylbicyclo(2.2.1)hept-2-yl)ethane-1-one?
The CAS number of 1-(3,3-Dimethylbicyclo(2.2.1)hept-2-yl)ethane-1-one is 1221276-32-9.
What is the molecular formula of 1-(3,3-Dimethylbicyclo(2.2.1)hept-2-yl)ethane-1-one?
The molecular formula of 1-(3,3-Dimethylbicyclo(2.2.1)hept-2-yl)ethane-1-one is C11H18O.
What is the molecular weight of 1-(3,3-Dimethylbicyclo(2.2.1)hept-2-yl)ethane-1-one?
The molecular weight of 1-(3,3-Dimethylbicyclo(2.2.1)hept-2-yl)ethane-1-one is 166.13577 g/mol.
Where can I buy 1-(3,3-Dimethylbicyclo(2.2.1)hept-2-yl)ethane-1-one?
You can request a quote for 1-(3,3-Dimethylbicyclo(2.2.1)hept-2-yl)ethane-1-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(3,3-Dimethylbicyclo(2.2.1)hept-2-yl)ethane-1-one?
Yes, CoreyChem provides custom synthesis services for 1-(3,3-Dimethylbicyclo(2.2.1)hept-2-yl)ethane-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.