![4-(2,2,6-Trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl)pent-3-en-2-one structure](/static/products/891/89128-13-2.png)
4-(2,2,6-Trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl)pent-3-en-2-one
TL;DR: 4-(2,2,6-Trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl)pent-3-en-2-one (CAS 89128-13-2) is a chemical compound with molecular formula C14H22O2 and molecular weight 222.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl)pent-3-en-2-one
Also Known As: 3-Penten-2-one, 4-(2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl)-, (E)-, 3-Penten-2-one, 4-(2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl)-, (Z)-
| Molecular Formula | C14H22O2 |
|---|---|
| Molecular Weight | 222.16 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 29.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 222.16199 |
| Heavy Atoms | 16 |
| Complexity | 367.0 |
Chemical Identifiers
| CAS Number | 89128-13-2 |
|---|---|
| SMILES | CC(=CC(=O)C)C12C(CCCC1(O2)C)(C)C |
| InChIKey | RNLTZJIZBIPGAV-UHFFFAOYSA-N |
Product Overview
4-(2,2,6-Trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl)pent-3-en-2-one (CAS 89128-13-2), with molecular formula C14H22O2 and molecular weight 222.16 g/mol. IUPAC: 4-(2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl)pent-3-en-2-one.
Chemical Property Profile of 4-(2,2,6-Trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl)pent-3-en-2-one
Property Insights of 4-(2,2,6-Trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl)pent-3-en-2-one
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2,2,6-Trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl)pent-3-en-2-one. With a topological polar surface area (TPSA) of 29.6 Ų, 4-(2,2,6-Trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl)pent-3-en-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2,2,6-Trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl)pent-3-en-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 4-(2,2,6-Trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl)pent-3-en-2-one?
The CAS number of 4-(2,2,6-Trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl)pent-3-en-2-one is 89128-13-2.
What is the molecular formula of 4-(2,2,6-Trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl)pent-3-en-2-one?
The molecular formula of 4-(2,2,6-Trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl)pent-3-en-2-one is C14H22O2.
What is the molecular weight of 4-(2,2,6-Trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl)pent-3-en-2-one?
The molecular weight of 4-(2,2,6-Trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl)pent-3-en-2-one is 222.16 g/mol.
Where can I buy 4-(2,2,6-Trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl)pent-3-en-2-one?
You can request a quote for 4-(2,2,6-Trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl)pent-3-en-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2,2,6-Trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl)pent-3-en-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(2,2,6-Trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl)pent-3-en-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.