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Bicyclo[3.2.1]oct-3-en-2-yl tert-butyl ether
TL;DR: Bicyclo[3.2.1]oct-3-en-2-yl tert-butyl ether (CAS 49826-51-9) is a chemical compound with molecular formula C12H20O and molecular weight 180.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2-methylpropan-2-yl)oxy]bicyclo[3.2.1]oct-2-ene
Also Known As: 4- bicyclo[3.2.1]oct-2-ene, Bicyclo[3.2.1]oct-3-en-2-yl tert-butyl ether, 4-tert-Butoxybicyclo[3.2.1]oct-2-ene, 4-(tert-butoxy)bicyclo[3.2.1]oct-2-ene, Bicyclo[3.2.1]oct-2-ene, 4-(1,1-dimethylethoxy)-
| Molecular Formula | C12H20O |
|---|---|
| Molecular Weight | 180.15 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 180.15141 |
| Heavy Atoms | 13 |
| Complexity | 212.0 |
Chemical Identifiers
| CAS Number | 49826-51-9 |
|---|---|
| SMILES | CC(C)(C)OC1C=CC2CCC1C2 |
| InChIKey | QJVNCFPLOPRLTD-UHFFFAOYSA-N |
Product Overview
Bicyclo[3.2.1]oct-3-en-2-yl tert-butyl ether (CAS 49826-51-9), with molecular formula C12H20O and molecular weight 180.15 g/mol. IUPAC: 4-[(2-methylpropan-2-yl)oxy]bicyclo[3.2.1]oct-2-ene.
Chemical Property Profile of Bicyclo[3.2.1]oct-3-en-2-yl tert-butyl ether
Property Insights of Bicyclo[3.2.1]oct-3-en-2-yl tert-butyl ether
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bicyclo[3.2.1]oct-3-en-2-yl tert-butyl ether. With a topological polar surface area (TPSA) of 9.2 Ų, Bicyclo[3.2.1]oct-3-en-2-yl tert-butyl ether exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bicyclo[3.2.1]oct-3-en-2-yl tert-butyl ether 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
Frequently Asked Questions
What is the CAS number of Bicyclo[3.2.1]oct-3-en-2-yl tert-butyl ether?
The CAS number of Bicyclo[3.2.1]oct-3-en-2-yl tert-butyl ether is 49826-51-9.
What is the molecular formula of Bicyclo[3.2.1]oct-3-en-2-yl tert-butyl ether?
The molecular formula of Bicyclo[3.2.1]oct-3-en-2-yl tert-butyl ether is C12H20O.
What is the molecular weight of Bicyclo[3.2.1]oct-3-en-2-yl tert-butyl ether?
The molecular weight of Bicyclo[3.2.1]oct-3-en-2-yl tert-butyl ether is 180.15 g/mol.
Where can I buy Bicyclo[3.2.1]oct-3-en-2-yl tert-butyl ether?
You can request a quote for Bicyclo[3.2.1]oct-3-en-2-yl tert-butyl ether directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bicyclo[3.2.1]oct-3-en-2-yl tert-butyl ether?
Yes, KEHONG BIO provides custom synthesis services for Bicyclo[3.2.1]oct-3-en-2-yl tert-butyl ether and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.