Bicyclo(2.2.2)octanone, 3-methyl-
TL;DR: Bicyclo(2.2.2)octanone, 3-methyl- (CAS 26051-25-2) is a chemical compound with molecular formula C9H14O and molecular weight 138.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylbicyclo[2.2.2]octan-2-one
Also Known As: Bicyclo[2.2.2]octanone, 3-methyl-, 3-Methylbicyclo[2.2.2]octan-2-one, 2-methylbicyclo[2.2.2]octan-3-one, Bicyclo(2.2.2)octanone, 3-methyl-, Bicyclo[2.2.2]octan-2-one, 3-methyl-
| Molecular Formula | C9H14O |
|---|---|
| Molecular Weight | 138.10 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 138.10446 |
| Heavy Atoms | 10 |
| Complexity | 154.0 |
Chemical Identifiers
| CAS Number | 26051-25-2 |
|---|---|
| SMILES | CC1C2CCC(C1=O)CC2 |
| InChIKey | RMZQBMVYJTYCBD-UHFFFAOYSA-N |
Product Overview
Bicyclo(2.2.2)octanone, 3-methyl- (CAS 26051-25-2), with molecular formula C9H14O and molecular weight 138.10 g/mol. IUPAC: 3-methylbicyclo[2.2.2]octan-2-one.
Chemical Property Profile of Bicyclo(2.2.2)octanone, 3-methyl-
Property Insights of Bicyclo(2.2.2)octanone, 3-methyl-
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bicyclo(2.2.2)octanone, 3-methyl-. With a topological polar surface area (TPSA) of 17.1 Ų, Bicyclo(2.2.2)octanone, 3-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bicyclo(2.2.2)octanone, 3-methyl- 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
Frequently Asked Questions
What is the CAS number of Bicyclo(2.2.2)octanone, 3-methyl-?
The CAS number of Bicyclo(2.2.2)octanone, 3-methyl- is 26051-25-2.
What is the molecular formula of Bicyclo(2.2.2)octanone, 3-methyl-?
The molecular formula of Bicyclo(2.2.2)octanone, 3-methyl- is C9H14O.
What is the molecular weight of Bicyclo(2.2.2)octanone, 3-methyl-?
The molecular weight of Bicyclo(2.2.2)octanone, 3-methyl- is 138.10 g/mol.
Where can I buy Bicyclo(2.2.2)octanone, 3-methyl-?
You can request a quote for Bicyclo(2.2.2)octanone, 3-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bicyclo(2.2.2)octanone, 3-methyl-?
Yes, KEHONG BIO provides custom synthesis services for Bicyclo(2.2.2)octanone, 3-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.