7-tert-Butoxybicyclo(2.2.1)hepta-2,5-diene
TL;DR: 7-tert-Butoxybicyclo(2.2.1)hepta-2,5-diene (CAS 877-06-5) is a chemical compound with molecular formula C11H16O and molecular weight 164.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(2-methylpropan-2-yl)oxy]bicyclo[2.2.1]hepta-2,5-diene
Also Known As: 7-tert-Butoxynorbornadiene, 7-t-butoxynorbornadiene, 7-Norbornadienyl tert-butyl ether, 7-tert-Butoxybicyclo(2.2.1)hepta-2,5-diene, 7-Norbornadienyl t-butyl ether
| Molecular Formula | C11H16O |
|---|---|
| Molecular Weight | 164.12 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 164.12012 |
| Heavy Atoms | 12 |
| Complexity | 202.0 |
Chemical Identifiers
| CAS Number | 877-06-5 |
|---|---|
| SMILES | CC(C)(C)OC1C2C=CC1C=C2 |
| InChIKey | PTTSCAGWOHYHDN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
7-tert-Butoxybicyclo(2.2.1)hepta-2,5-diene (CAS 877-06-5), with molecular formula C11H16O and molecular weight 164.12 g/mol. IUPAC: 7-[(2-methylpropan-2-yl)oxy]bicyclo[2.2.1]hepta-2,5-diene.
Chemical Property Profile of 7-tert-Butoxybicyclo(2.2.1)hepta-2,5-diene
Property Insights of 7-tert-Butoxybicyclo(2.2.1)hepta-2,5-diene
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-tert-Butoxybicyclo(2.2.1)hepta-2,5-diene. With a topological polar surface area (TPSA) of 9.2 Ų, 7-tert-Butoxybicyclo(2.2.1)hepta-2,5-diene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-tert-Butoxybicyclo(2.2.1)hepta-2,5-diene 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 7-tert-Butoxybicyclo(2.2.1)hepta-2,5-diene?
The CAS number of 7-tert-Butoxybicyclo(2.2.1)hepta-2,5-diene is 877-06-5.
What is the molecular formula of 7-tert-Butoxybicyclo(2.2.1)hepta-2,5-diene?
The molecular formula of 7-tert-Butoxybicyclo(2.2.1)hepta-2,5-diene is C11H16O.
What is the molecular weight of 7-tert-Butoxybicyclo(2.2.1)hepta-2,5-diene?
The molecular weight of 7-tert-Butoxybicyclo(2.2.1)hepta-2,5-diene is 164.12 g/mol.
Where can I buy 7-tert-Butoxybicyclo(2.2.1)hepta-2,5-diene?
You can request a quote for 7-tert-Butoxybicyclo(2.2.1)hepta-2,5-diene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-tert-Butoxybicyclo(2.2.1)hepta-2,5-diene?
Yes, KEHONG BIO provides custom synthesis services for 7-tert-Butoxybicyclo(2.2.1)hepta-2,5-diene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.