1-Methylidene-2,3,3a,5,6,7,8,8a-octahydroazulen-4-one
TL;DR: 1-Methylidene-2,3,3a,5,6,7,8,8a-octahydroazulen-4-one (CAS 111615-50-0) is a chemical compound with molecular formula C11H16O and molecular weight 164.12012 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-methylidene-2,3,3a,5,6,7,8,8a-octahydroazulen-4-one
Also Known As: 1-Methyleneoctahydro-4(1H)-azulenone, 1-methylidene-2,3,3a,5,6,7,8,8a-octahydroazulen-4-one, 2,3,3aalpha,5,6,7,8,8aalpha-Octahydro-1-methyleneazulen-4(1H)-one
Technical Specifications
| Molecular Formula | C11H16O |
| Molecular Weight | 164.12012 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 164.12012 Da |
| Heavy Atoms | 12 |
| Complexity | 217.0 |
| SMILES | C=C1CCC2C1CCCCC2=O |
| InChIKey | FLBJFMPLOSSBSV-UHFFFAOYSA-N |
Chemical Property Profile of 1-Methylidene-2,3,3a,5,6,7,8,8a-octahydroazulen-4-one
Property Insights of 1-Methylidene-2,3,3a,5,6,7,8,8a-octahydroazulen-4-one
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methylidene-2,3,3a,5,6,7,8,8a-octahydroazulen-4-one. With a topological polar surface area (TPSA) of 17.1 Ų, 1-Methylidene-2,3,3a,5,6,7,8,8a-octahydroazulen-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methylidene-2,3,3a,5,6,7,8,8a-octahydroazulen-4-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-Methylidene-2,3,3a,5,6,7,8,8a-octahydroazulen-4-one?
The CAS number of 1-Methylidene-2,3,3a,5,6,7,8,8a-octahydroazulen-4-one is 111615-50-0.
What is the molecular formula of 1-Methylidene-2,3,3a,5,6,7,8,8a-octahydroazulen-4-one?
The molecular formula of 1-Methylidene-2,3,3a,5,6,7,8,8a-octahydroazulen-4-one is C11H16O.
What is the molecular weight of 1-Methylidene-2,3,3a,5,6,7,8,8a-octahydroazulen-4-one?
The molecular weight of 1-Methylidene-2,3,3a,5,6,7,8,8a-octahydroazulen-4-one is 164.12012 g/mol.
Where can I buy 1-Methylidene-2,3,3a,5,6,7,8,8a-octahydroazulen-4-one?
You can request a quote for 1-Methylidene-2,3,3a,5,6,7,8,8a-octahydroazulen-4-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Methylidene-2,3,3a,5,6,7,8,8a-octahydroazulen-4-one?
Yes, CoreyChem provides custom synthesis services for 1-Methylidene-2,3,3a,5,6,7,8,8a-octahydroazulen-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.