Cyclooct-4-en-1-yl 2-methylpropanoate
TL;DR: Cyclooct-4-en-1-yl 2-methylpropanoate (CAS 94139-02-3) is a chemical compound with molecular formula C12H20O2 and molecular weight 196.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyclooct-4-en-1-yl 2-methylpropanoate
Also Known As: Cyclooct-4-enyl isobutyrate, cyclooct-4-en-1-yl 2-methylpropanoate
| Molecular Formula | C12H20O2 |
|---|---|
| Molecular Weight | 196.15 g/mol |
| LogP | 3.0745 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 196.14633 |
| Heavy Atoms | 14 |
| Complexity | 206.36726 |
Chemical Identifiers
| CAS Number | 94139-02-3 |
|---|---|
| SMILES | CC(C)C(=O)OC1CCCC=CCC1 |
Product Overview
Cyclooct-4-en-1-yl 2-methylpropanoate (CAS 94139-02-3), with molecular formula C12H20O2 and molecular weight 196.15 g/mol. IUPAC: cyclooct-4-en-1-yl 2-methylpropanoate.
Chemical Property Profile of Cyclooct-4-en-1-yl 2-methylpropanoate
Property Insights of Cyclooct-4-en-1-yl 2-methylpropanoate
The XLogP value of 3.0745 indicates that Cyclooct-4-en-1-yl 2-methylpropanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Cyclooct-4-en-1-yl 2-methylpropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclooct-4-en-1-yl 2-methylpropanoate 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 Cyclooct-4-en-1-yl 2-methylpropanoate?
The CAS number of Cyclooct-4-en-1-yl 2-methylpropanoate is 94139-02-3.
What is the molecular formula of Cyclooct-4-en-1-yl 2-methylpropanoate?
The molecular formula of Cyclooct-4-en-1-yl 2-methylpropanoate is C12H20O2.
What is the molecular weight of Cyclooct-4-en-1-yl 2-methylpropanoate?
The molecular weight of Cyclooct-4-en-1-yl 2-methylpropanoate is 196.15 g/mol.
Where can I buy Cyclooct-4-en-1-yl 2-methylpropanoate?
You can request a quote for Cyclooct-4-en-1-yl 2-methylpropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclooct-4-en-1-yl 2-methylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for Cyclooct-4-en-1-yl 2-methylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.