Octadec-9-enyl 3-methylbutanoate
TL;DR: Octadec-9-enyl 3-methylbutanoate (CAS 51677-68-0) is a chemical compound with molecular formula C23H44O2 and molecular weight 352.33414 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
octadec-9-enyl 3-methylbutanoate
Also Known As: (Z)-Octadec-9-enyl isovalerate, Butanoic acid,3-methyl-, 9-octadecenyl ester, (Z)- (9CI)
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C23H44O2 |
| Molecular Weight | 352.33414 g/mol |
| XLogP | 9.3 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 19 |
| Exact Mass | 352.33414 Da |
| Heavy Atoms | 25 |
| Complexity | 307.0 |
| SMILES | CCCCCCCCC=CCCCCCCCCOC(=O)CC(C)C |
| InChIKey | LOCNAPVACGRDIV-UHFFFAOYSA-N |
Chemical Property Profile of Octadec-9-enyl 3-methylbutanoate
Property Insights of Octadec-9-enyl 3-methylbutanoate
The XLogP value of 9.3 indicates that Octadec-9-enyl 3-methylbutanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Octadec-9-enyl 3-methylbutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octadec-9-enyl 3-methylbutanoate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Octadec-9-enyl 3-methylbutanoate?
The CAS number of Octadec-9-enyl 3-methylbutanoate is 51677-68-0.
What is the molecular formula of Octadec-9-enyl 3-methylbutanoate?
The molecular formula of Octadec-9-enyl 3-methylbutanoate is C23H44O2.
What is the molecular weight of Octadec-9-enyl 3-methylbutanoate?
The molecular weight of Octadec-9-enyl 3-methylbutanoate is 352.33414 g/mol.
Where can I buy Octadec-9-enyl 3-methylbutanoate?
You can request a quote for Octadec-9-enyl 3-methylbutanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Octadec-9-enyl 3-methylbutanoate?
Yes, CoreyChem provides custom synthesis services for Octadec-9-enyl 3-methylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.