Oct-3-enyl propionate
TL;DR: Oct-3-enyl propionate (CAS 94133-58-1) is a chemical compound with molecular formula C11H20O2 and molecular weight 184.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-oct-3-enyl] propanoate
Also Known As: Oct-3-enyl propionate, oct-3-enylpropionate, 3-Octenyl propionate, Oct-3-en-1-yl propanoate, EINECS 302-719-8
| Molecular Formula | C11H20O2 |
|---|---|
| Molecular Weight | 184.15 g/mol |
| LogP | 3.0761 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 184.14633 |
| Heavy Atoms | 13 |
| Complexity | 150.16927 |
Chemical Identifiers
| CAS Number | 94133-58-1 |
|---|---|
| SMILES | CCCC/C=C/CCOC(=O)CC |
Product Overview
Oct-3-enyl propionate (CAS 94133-58-1), with molecular formula C11H20O2 and molecular weight 184.15 g/mol. IUPAC: [(E)-oct-3-enyl] propanoate.
Chemical Property Profile of Oct-3-enyl propionate
Property Insights of Oct-3-enyl propionate
The XLogP value of 3.0761 indicates that Oct-3-enyl propionate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Oct-3-enyl propionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Oct-3-enyl propionate 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 Oct-3-enyl propionate?
The CAS number of Oct-3-enyl propionate is 94133-58-1.
What is the molecular formula of Oct-3-enyl propionate?
The molecular formula of Oct-3-enyl propionate is C11H20O2.
What is the molecular weight of Oct-3-enyl propionate?
The molecular weight of Oct-3-enyl propionate is 184.15 g/mol.
Where can I buy Oct-3-enyl propionate?
You can request a quote for Oct-3-enyl propionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Oct-3-enyl propionate?
Yes, KEHONG BIO provides custom synthesis services for Oct-3-enyl propionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.