3,3-Dimethylbicylo(3.2.0)hepta-1,4-diene
TL;DR: 3,3-Dimethylbicylo(3.2.0)hepta-1,4-diene (CAS 111869-26-2) is a chemical compound with molecular formula C9H12 and molecular weight 120.0939 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,3-dimethylbicyclo[3.2.0]hepta-1,4-diene
Also Known As: 3,3-dimethylbicyclo[3.2.0]hepta-1,4-diene, 3,3-Dimethylbicylo(3.2.0)hepta-1,4-diene, Bicyclo[3.2.0]hepta-1,4-diene,3,3-dimethyl-, 3,3-Dimethylbicylo[3.2.0]hepta-1,4-diene, J2.465.103G
Technical Specifications
| Molecular Formula | C9H12 |
| Molecular Weight | 120.0939 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 120.0939 Da |
| Heavy Atoms | 9 |
| Complexity | 182.0 |
| SMILES | CC1(C=C2CCC2=C1)C |
| InChIKey | LCUWWPJEBQOEQH-UHFFFAOYSA-N |
Chemical Property Profile of 3,3-Dimethylbicylo(3.2.0)hepta-1,4-diene
Property Insights of 3,3-Dimethylbicylo(3.2.0)hepta-1,4-diene
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3-Dimethylbicylo(3.2.0)hepta-1,4-diene. With a topological polar surface area (TPSA) of 0.0 Ų, 3,3-Dimethylbicylo(3.2.0)hepta-1,4-diene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3-Dimethylbicylo(3.2.0)hepta-1,4-diene 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 3,3-Dimethylbicylo(3.2.0)hepta-1,4-diene?
The CAS number of 3,3-Dimethylbicylo(3.2.0)hepta-1,4-diene is 111869-26-2.
What is the molecular formula of 3,3-Dimethylbicylo(3.2.0)hepta-1,4-diene?
The molecular formula of 3,3-Dimethylbicylo(3.2.0)hepta-1,4-diene is C9H12.
What is the molecular weight of 3,3-Dimethylbicylo(3.2.0)hepta-1,4-diene?
The molecular weight of 3,3-Dimethylbicylo(3.2.0)hepta-1,4-diene is 120.0939 g/mol.
Where can I buy 3,3-Dimethylbicylo(3.2.0)hepta-1,4-diene?
You can request a quote for 3,3-Dimethylbicylo(3.2.0)hepta-1,4-diene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,3-Dimethylbicylo(3.2.0)hepta-1,4-diene?
Yes, CoreyChem provides custom synthesis services for 3,3-Dimethylbicylo(3.2.0)hepta-1,4-diene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.