octahydro-1,4:5,8-dimethanonaphthalen-2(1H)-one
TL;DR: octahydro-1,4:5,8-dimethanonaphthalen-2(1H)-one (CAS 104832-30-6) is a chemical compound with molecular formula C12H16O and molecular weight 176.12012 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tetracyclo[6.2.1.13,6.02,7]dodecan-4-one
Also Known As: octahydro-1,4:5,8-dimethanonaphthalen-2(1H)-one, tetracyclo[4.4.0.12,5.17,10]dodecane-3-one, 1,4:5,8-Dimethanonaphthalen-2(1H)-one, octahydro-, (1alpha,4alpha,4abeta,5beta,8beta,8abeta)-, 1,4:5,8-Dimethanonaphthalen-2(1H)-one, octahydro-, (1.alpha.,4.alpha.,4a.beta.,5.beta.,8.beta.,8a.beta)-
Technical Specifications
| Molecular Formula | C12H16O |
| Molecular Weight | 176.12012 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 176.12012 Da |
| Heavy Atoms | 13 |
| Complexity | 283.0 |
| SMILES | C1CC2CC1C3C2C4CC3CC4=O |
| InChIKey | DZOQLUIQIYIEIC-UHFFFAOYSA-N |
Chemical Property Profile of octahydro-1,4:5,8-dimethanonaphthalen-2(1H)-one
Property Insights of octahydro-1,4:5,8-dimethanonaphthalen-2(1H)-one
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for octahydro-1,4:5,8-dimethanonaphthalen-2(1H)-one. With a topological polar surface area (TPSA) of 17.1 Ų, octahydro-1,4:5,8-dimethanonaphthalen-2(1H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, octahydro-1,4:5,8-dimethanonaphthalen-2(1H)-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 octahydro-1,4:5,8-dimethanonaphthalen-2(1H)-one?
The CAS number of octahydro-1,4:5,8-dimethanonaphthalen-2(1H)-one is 104832-30-6.
What is the molecular formula of octahydro-1,4:5,8-dimethanonaphthalen-2(1H)-one?
The molecular formula of octahydro-1,4:5,8-dimethanonaphthalen-2(1H)-one is C12H16O.
What is the molecular weight of octahydro-1,4:5,8-dimethanonaphthalen-2(1H)-one?
The molecular weight of octahydro-1,4:5,8-dimethanonaphthalen-2(1H)-one is 176.12012 g/mol.
Where can I buy octahydro-1,4:5,8-dimethanonaphthalen-2(1H)-one?
You can request a quote for octahydro-1,4:5,8-dimethanonaphthalen-2(1H)-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for octahydro-1,4:5,8-dimethanonaphthalen-2(1H)-one?
Yes, CoreyChem provides custom synthesis services for octahydro-1,4:5,8-dimethanonaphthalen-2(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.