2-Oxabicyclo(2.2.2)octane, 1,5-dimethyl-3-(2-propenyl)-
TL;DR: 2-Oxabicyclo(2.2.2)octane, 1,5-dimethyl-3-(2-propenyl)- (CAS 71477-76-4) 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.
(1R,3R,4S,5S)-1,5-dimethyl-3-prop-2-enyl-2-oxabicyclo[2.2.2]octane
Also Known As: 3-Allyl-1,5-dimethyl-2-oxabicyclo(2.2.2)octane, 2-Oxabicyclo(2.2.2)octane, 1,5-dimethyl-3-(2-propenyl)-, 2-Oxabicyclo(2.2.2)octane, 1,5-dimethyl-3-(2-propen-1-yl)-, 2-Oxabicyclo[2.2.2]octane, 1,5-dimethyl-3-(2-propenyl)-
| Molecular Formula | C12H20O |
|---|---|
| Molecular Weight | 180.15 g/mol |
| LogP | 3.1562 |
| Topological Polar Surface Area | 9.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 180.15141 |
| Heavy Atoms | 13 |
| Complexity | 211.17001 |
Chemical Identifiers
| CAS Number | 71477-76-4 |
|---|---|
| SMILES | C[C@H]1C[C@]2(CC[C@@H]1[C@H](O2)CC=C)C |
Product Overview
2-Oxabicyclo(2.2.2)octane, 1,5-dimethyl-3-(2-propenyl)- (CAS 71477-76-4), with molecular formula C12H20O and molecular weight 180.15 g/mol. IUPAC: (1R,3R,4S,5S)-1,5-dimethyl-3-prop-2-enyl-2-oxabicyclo[2.2.2]octane.
Chemical Property Profile of 2-Oxabicyclo(2.2.2)octane, 1,5-dimethyl-3-(2-propenyl)-
Property Insights of 2-Oxabicyclo(2.2.2)octane, 1,5-dimethyl-3-(2-propenyl)-
The XLogP value of 3.1562 indicates that 2-Oxabicyclo(2.2.2)octane, 1,5-dimethyl-3-(2-propenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.23 Ų, 2-Oxabicyclo(2.2.2)octane, 1,5-dimethyl-3-(2-propenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Oxabicyclo(2.2.2)octane, 1,5-dimethyl-3-(2-propenyl)- 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 2-Oxabicyclo(2.2.2)octane, 1,5-dimethyl-3-(2-propenyl)-?
The CAS number of 2-Oxabicyclo(2.2.2)octane, 1,5-dimethyl-3-(2-propenyl)- is 71477-76-4.
What is the molecular formula of 2-Oxabicyclo(2.2.2)octane, 1,5-dimethyl-3-(2-propenyl)-?
The molecular formula of 2-Oxabicyclo(2.2.2)octane, 1,5-dimethyl-3-(2-propenyl)- is C12H20O.
What is the molecular weight of 2-Oxabicyclo(2.2.2)octane, 1,5-dimethyl-3-(2-propenyl)-?
The molecular weight of 2-Oxabicyclo(2.2.2)octane, 1,5-dimethyl-3-(2-propenyl)- is 180.15 g/mol.
Where can I buy 2-Oxabicyclo(2.2.2)octane, 1,5-dimethyl-3-(2-propenyl)-?
You can request a quote for 2-Oxabicyclo(2.2.2)octane, 1,5-dimethyl-3-(2-propenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Oxabicyclo(2.2.2)octane, 1,5-dimethyl-3-(2-propenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Oxabicyclo(2.2.2)octane, 1,5-dimethyl-3-(2-propenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.