![3-Oxabicyclo[3.2.1]octan-2-one, 1,4,4-trimethyl- structure](/static/products/4349/4349-37-5.webp)
3-Oxabicyclo[3.2.1]octan-2-one, 1,4,4-trimethyl-
TL;DR: 3-Oxabicyclo[3.2.1]octan-2-one, 1,4,4-trimethyl- (CAS 4349-37-5) 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.
1,4,4-trimethyl-3-oxabicyclo[3.2.1]octan-2-one
Also Known As: 3-Oxabicyclo[3.2.1]octan-2-one, 1,4,4-trimethyl-, 2,2,5-trimethyl-3-oxabicyclo[3.2.1]octan-4-one, 1,4,4-trimethyl-3-oxabicyclo[3.2.1]octan-2-one
| Molecular Formula | C10H16O2 |
|---|---|
| Molecular Weight | 168.12 g/mol |
| LogP | 1.9 |
| 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 | 232.0 |
Chemical Identifiers
| CAS Number | 4349-37-5 |
|---|---|
| SMILES | CC1(C2CCC(C2)(C(=O)O1)C)C |
| InChIKey | ITZMIGUWAHPPCU-UHFFFAOYSA-N |
Product Overview
3-Oxabicyclo[3.2.1]octan-2-one, 1,4,4-trimethyl- (CAS 4349-37-5), with molecular formula C10H16O2 and molecular weight 168.12 g/mol. IUPAC: 1,4,4-trimethyl-3-oxabicyclo[3.2.1]octan-2-one.
Chemical Property Profile of 3-Oxabicyclo[3.2.1]octan-2-one, 1,4,4-trimethyl-
Property Insights of 3-Oxabicyclo[3.2.1]octan-2-one, 1,4,4-trimethyl-
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Oxabicyclo[3.2.1]octan-2-one, 1,4,4-trimethyl-. With a topological polar surface area (TPSA) of 26.3 Ų, 3-Oxabicyclo[3.2.1]octan-2-one, 1,4,4-trimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Oxabicyclo[3.2.1]octan-2-one, 1,4,4-trimethyl- 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 3-Oxabicyclo[3.2.1]octan-2-one, 1,4,4-trimethyl-?
The CAS number of 3-Oxabicyclo[3.2.1]octan-2-one, 1,4,4-trimethyl- is 4349-37-5.
What is the molecular formula of 3-Oxabicyclo[3.2.1]octan-2-one, 1,4,4-trimethyl-?
The molecular formula of 3-Oxabicyclo[3.2.1]octan-2-one, 1,4,4-trimethyl- is C10H16O2.
What is the molecular weight of 3-Oxabicyclo[3.2.1]octan-2-one, 1,4,4-trimethyl-?
The molecular weight of 3-Oxabicyclo[3.2.1]octan-2-one, 1,4,4-trimethyl- is 168.12 g/mol.
Where can I buy 3-Oxabicyclo[3.2.1]octan-2-one, 1,4,4-trimethyl-?
You can request a quote for 3-Oxabicyclo[3.2.1]octan-2-one, 1,4,4-trimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Oxabicyclo[3.2.1]octan-2-one, 1,4,4-trimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 3-Oxabicyclo[3.2.1]octan-2-one, 1,4,4-trimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.