![2,6,6-Trimethylbicyclo[3.1.1]heptan-3-one oxime structure](/static/products/4576/4576-49-2.webp)
2,6,6-Trimethylbicyclo[3.1.1]heptan-3-one oxime
TL;DR: 2,6,6-Trimethylbicyclo[3.1.1]heptan-3-one oxime (CAS 4576-49-2) is a chemical compound with molecular formula C10H17NO and molecular weight 167.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanylidene)hydroxylamine
Also Known As: 3-PINANONE OXIME, KBio1_001310, 2,6,6-Trimethylbicyclo[3.1.1]heptan-3-one oxime, 2,6,6-Trimethylbicyclo(3.1.1)heptan-3-one oxime, 2,7,7-Trimethylbicyclo[3.1.1]heptane-3-carboxaldehyde oxime
| Molecular Formula | C10H17NO |
|---|---|
| Molecular Weight | 167.13 g/mol |
| LogP | 2.5187 |
| Topological Polar Surface Area | 32.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 167.13101 |
| Heavy Atoms | 12 |
| Complexity | 231.99307 |
Chemical Identifiers
| CAS Number | 4576-49-2 |
|---|---|
| SMILES | CC1C2CC(C2(C)C)CC1=NO |
Product Overview
2,6,6-Trimethylbicyclo[3.1.1]heptan-3-one oxime (CAS 4576-49-2), with molecular formula C10H17NO and molecular weight 167.13 g/mol. IUPAC: N-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanylidene)hydroxylamine.
Chemical Property Profile of 2,6,6-Trimethylbicyclo[3.1.1]heptan-3-one oxime
Property Insights of 2,6,6-Trimethylbicyclo[3.1.1]heptan-3-one oxime
The XLogP value of 2.5187 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,6,6-Trimethylbicyclo[3.1.1]heptan-3-one oxime. With a topological polar surface area (TPSA) of 32.59 Ų, 2,6,6-Trimethylbicyclo[3.1.1]heptan-3-one oxime exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6,6-Trimethylbicyclo[3.1.1]heptan-3-one oxime has 1 hydrogen bond donor(s) and 2 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 2,6,6-Trimethylbicyclo[3.1.1]heptan-3-one oxime?
The CAS number of 2,6,6-Trimethylbicyclo[3.1.1]heptan-3-one oxime is 4576-49-2.
What is the molecular formula of 2,6,6-Trimethylbicyclo[3.1.1]heptan-3-one oxime?
The molecular formula of 2,6,6-Trimethylbicyclo[3.1.1]heptan-3-one oxime is C10H17NO.
What is the molecular weight of 2,6,6-Trimethylbicyclo[3.1.1]heptan-3-one oxime?
The molecular weight of 2,6,6-Trimethylbicyclo[3.1.1]heptan-3-one oxime is 167.13 g/mol.
Where can I buy 2,6,6-Trimethylbicyclo[3.1.1]heptan-3-one oxime?
You can request a quote for 2,6,6-Trimethylbicyclo[3.1.1]heptan-3-one oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6,6-Trimethylbicyclo[3.1.1]heptan-3-one oxime?
Yes, KEHONG BIO provides custom synthesis services for 2,6,6-Trimethylbicyclo[3.1.1]heptan-3-one oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.