1,8,8-Trimethyl-3-oxabicyclo[3.2.1]octan-2-one
TL;DR: 1,8,8-Trimethyl-3-oxabicyclo[3.2.1]octan-2-one (CAS 507-96-0) is a chemical compound with molecular formula C10H16O2 and molecular weight 168.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,8,8-trimethyl-3-oxabicyclo[3.2.1]octan-2-one
Also Known As: Campholide, alpha-Campholide, 1,8,8-trimethyl-3-oxabicyclo[3.2.1]octan-2-one, 1,8,8-Trimethyl-3-oxabicyclo<3.2.1>-octan-2-on, 5,8,8-trimethyl-3-oxabicyclo[3.2.1]octan-4-one
| Molecular Formula | C10H16O2 |
|---|---|
| Molecular Weight | 168.12 g/mol |
| LogP | 1.9857 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 168.11504 |
| Heavy Atoms | 12 |
| Complexity | 231.99307 |
Chemical Identifiers
| CAS Number | 507-96-0 |
|---|---|
| SMILES | CC1(C2CCC1(C(=O)OC2)C)C |
Product Overview
1,8,8-Trimethyl-3-oxabicyclo[3.2.1]octan-2-one (CAS 507-96-0), with molecular formula C10H16O2 and molecular weight 168.12 g/mol. IUPAC: 1,8,8-trimethyl-3-oxabicyclo[3.2.1]octan-2-one.
Chemical Property Profile of 1,8,8-Trimethyl-3-oxabicyclo[3.2.1]octan-2-one
Property Insights of 1,8,8-Trimethyl-3-oxabicyclo[3.2.1]octan-2-one
The XLogP value of 1.9857 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,8,8-Trimethyl-3-oxabicyclo[3.2.1]octan-2-one. With a topological polar surface area (TPSA) of 26.3 Ų, 1,8,8-Trimethyl-3-oxabicyclo[3.2.1]octan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,8,8-Trimethyl-3-oxabicyclo[3.2.1]octan-2-one has 0 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 1,8,8-Trimethyl-3-oxabicyclo[3.2.1]octan-2-one?
The CAS number of 1,8,8-Trimethyl-3-oxabicyclo[3.2.1]octan-2-one is 507-96-0.
What is the molecular formula of 1,8,8-Trimethyl-3-oxabicyclo[3.2.1]octan-2-one?
The molecular formula of 1,8,8-Trimethyl-3-oxabicyclo[3.2.1]octan-2-one is C10H16O2.
What is the molecular weight of 1,8,8-Trimethyl-3-oxabicyclo[3.2.1]octan-2-one?
The molecular weight of 1,8,8-Trimethyl-3-oxabicyclo[3.2.1]octan-2-one is 168.12 g/mol.
Where can I buy 1,8,8-Trimethyl-3-oxabicyclo[3.2.1]octan-2-one?
You can request a quote for 1,8,8-Trimethyl-3-oxabicyclo[3.2.1]octan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,8,8-Trimethyl-3-oxabicyclo[3.2.1]octan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1,8,8-Trimethyl-3-oxabicyclo[3.2.1]octan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.