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Bicyclo[2.2.2]oct-5-en-2-ylmethyl acetate
TL;DR: Bicyclo[2.2.2]oct-5-en-2-ylmethyl acetate (CAS 253789-06-9) is a chemical compound with molecular formula C11H16O2 and molecular weight 180.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bicyclo[2.2.2]oct-5-enylmethyl acetate
Also Known As: bicyclo[2.2.2]oct-5-en-2-ylmethyl acetate, 5-bicyclo[2.2.2]oct-2-enylmethyl acetate, (Bicyclo[2.2.2]oct-5-en-2-yl)methyl acetate
| Molecular Formula | C11H16O2 |
|---|---|
| Molecular Weight | 180.12 g/mol |
| LogP | 2.1518 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 180.11504 |
| Heavy Atoms | 13 |
| Complexity | 232.24478 |
Chemical Identifiers
| CAS Number | 253789-06-9 |
|---|---|
| SMILES | CC(=O)OCC1CC2CCC1C=C2 |
Product Overview
Bicyclo[2.2.2]oct-5-en-2-ylmethyl acetate (CAS 253789-06-9), with molecular formula C11H16O2 and molecular weight 180.12 g/mol. IUPAC: 2-bicyclo[2.2.2]oct-5-enylmethyl acetate.
Chemical Property Profile of Bicyclo[2.2.2]oct-5-en-2-ylmethyl acetate
Property Insights of Bicyclo[2.2.2]oct-5-en-2-ylmethyl acetate
The XLogP value of 2.1518 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bicyclo[2.2.2]oct-5-en-2-ylmethyl acetate. With a topological polar surface area (TPSA) of 26.3 Ų, Bicyclo[2.2.2]oct-5-en-2-ylmethyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bicyclo[2.2.2]oct-5-en-2-ylmethyl acetate 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 Bicyclo[2.2.2]oct-5-en-2-ylmethyl acetate?
The CAS number of Bicyclo[2.2.2]oct-5-en-2-ylmethyl acetate is 253789-06-9.
What is the molecular formula of Bicyclo[2.2.2]oct-5-en-2-ylmethyl acetate?
The molecular formula of Bicyclo[2.2.2]oct-5-en-2-ylmethyl acetate is C11H16O2.
What is the molecular weight of Bicyclo[2.2.2]oct-5-en-2-ylmethyl acetate?
The molecular weight of Bicyclo[2.2.2]oct-5-en-2-ylmethyl acetate is 180.12 g/mol.
Where can I buy Bicyclo[2.2.2]oct-5-en-2-ylmethyl acetate?
You can request a quote for Bicyclo[2.2.2]oct-5-en-2-ylmethyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bicyclo[2.2.2]oct-5-en-2-ylmethyl acetate?
Yes, KEHONG BIO provides custom synthesis services for Bicyclo[2.2.2]oct-5-en-2-ylmethyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.