2-Methyl-bicyclo(2.2.2)-oct-2-ene
TL;DR: 2-Methyl-bicyclo(2.2.2)-oct-2-ene (CAS 4893-13-4) is a chemical compound with molecular formula C9H14 and molecular weight 122.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylbicyclo[2.2.2]oct-2-ene
Also Known As: 2-Methyl-bicyclo(2.2.2)-oct-2-ene, 3-methylbicyclo[2.2.2]oct-2-ene, 2-Methyl-bicyclo[2.2.2]-oct-2-ene, 2-methylbicyclo[2.2.2]oct-2-ene, 2-methylbicyclo[2.2.2]-oct-2-ene
| Molecular Formula | C9H14 |
|---|---|
| Molecular Weight | 122.11 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 122.10955 |
| Heavy Atoms | 9 |
| Complexity | 136.0 |
Chemical Identifiers
| CAS Number | 4893-13-4 |
|---|---|
| SMILES | CC1=CC2CCC1CC2 |
| InChIKey | FMFQACYAOAGSEB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Methyl-bicyclo(2.2.2)-oct-2-ene (CAS 4893-13-4), with molecular formula C9H14 and molecular weight 122.11 g/mol. IUPAC: 2-methylbicyclo[2.2.2]oct-2-ene.
Chemical Property Profile of 2-Methyl-bicyclo(2.2.2)-oct-2-ene
Property Insights of 2-Methyl-bicyclo(2.2.2)-oct-2-ene
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-bicyclo(2.2.2)-oct-2-ene. With a topological polar surface area (TPSA) of 0.0 Ų, 2-Methyl-bicyclo(2.2.2)-oct-2-ene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-bicyclo(2.2.2)-oct-2-ene 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
Frequently Asked Questions
What is the CAS number of 2-Methyl-bicyclo(2.2.2)-oct-2-ene?
The CAS number of 2-Methyl-bicyclo(2.2.2)-oct-2-ene is 4893-13-4.
What is the molecular formula of 2-Methyl-bicyclo(2.2.2)-oct-2-ene?
The molecular formula of 2-Methyl-bicyclo(2.2.2)-oct-2-ene is C9H14.
What is the molecular weight of 2-Methyl-bicyclo(2.2.2)-oct-2-ene?
The molecular weight of 2-Methyl-bicyclo(2.2.2)-oct-2-ene is 122.11 g/mol.
Where can I buy 2-Methyl-bicyclo(2.2.2)-oct-2-ene?
You can request a quote for 2-Methyl-bicyclo(2.2.2)-oct-2-ene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-bicyclo(2.2.2)-oct-2-ene?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-bicyclo(2.2.2)-oct-2-ene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.