![5-(3,3-Dimethylbicyclo[2.2.1]heptan-2-yl)pent-3-en-2-one structure](/static/products/121/1217877-26-3.webp)
5-(3,3-Dimethylbicyclo[2.2.1]heptan-2-yl)pent-3-en-2-one
TL;DR: 5-(3,3-Dimethylbicyclo[2.2.1]heptan-2-yl)pent-3-en-2-one (CAS 1217877-26-3) is a chemical compound with molecular formula C14H22O and molecular weight 206.16707 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-5-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)pent-3-en-2-one
Also Known As: 5-(3,3-Dimethylbicyclo[2.2.1]heptan-2-yl)pent-3-en-2-one, 5-{3,3-dimethylbicyclo[2.2.1]heptan-2-yl}pent-3-en-2-one
Technical Specifications
| Molecular Formula | C14H22O |
| Molecular Weight | 206.16707 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 206.16707 Da |
| Heavy Atoms | 15 |
| Complexity | 288.0 |
| SMILES | CC(=O)/C=C/CC1C2CCC(C2)C1(C)C |
| InChIKey | PMWMFQBVQIZNOD-SNAWJCMRSA-N |
Chemical Property Profile of 5-(3,3-Dimethylbicyclo[2.2.1]heptan-2-yl)pent-3-en-2-one
Property Insights of 5-(3,3-Dimethylbicyclo[2.2.1]heptan-2-yl)pent-3-en-2-one
The XLogP value of 3.8 indicates that 5-(3,3-Dimethylbicyclo[2.2.1]heptan-2-yl)pent-3-en-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 5-(3,3-Dimethylbicyclo[2.2.1]heptan-2-yl)pent-3-en-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(3,3-Dimethylbicyclo[2.2.1]heptan-2-yl)pent-3-en-2-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 5-(3,3-Dimethylbicyclo[2.2.1]heptan-2-yl)pent-3-en-2-one?
The CAS number of 5-(3,3-Dimethylbicyclo[2.2.1]heptan-2-yl)pent-3-en-2-one is 1217877-26-3.
What is the molecular formula of 5-(3,3-Dimethylbicyclo[2.2.1]heptan-2-yl)pent-3-en-2-one?
The molecular formula of 5-(3,3-Dimethylbicyclo[2.2.1]heptan-2-yl)pent-3-en-2-one is C14H22O.
What is the molecular weight of 5-(3,3-Dimethylbicyclo[2.2.1]heptan-2-yl)pent-3-en-2-one?
The molecular weight of 5-(3,3-Dimethylbicyclo[2.2.1]heptan-2-yl)pent-3-en-2-one is 206.16707 g/mol.
Where can I buy 5-(3,3-Dimethylbicyclo[2.2.1]heptan-2-yl)pent-3-en-2-one?
You can request a quote for 5-(3,3-Dimethylbicyclo[2.2.1]heptan-2-yl)pent-3-en-2-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-(3,3-Dimethylbicyclo[2.2.1]heptan-2-yl)pent-3-en-2-one?
Yes, CoreyChem provides custom synthesis services for 5-(3,3-Dimethylbicyclo[2.2.1]heptan-2-yl)pent-3-en-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.