Hexadec-11-en-7-ynyl acetate
TL;DR: Hexadec-11-en-7-ynyl acetate (CAS 53042-80-1) is a chemical compound with molecular formula C18H30O2 and molecular weight 278.22458 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
hexadec-11-en-7-ynyl acetate
Also Known As: hexadec-11-en-7-ynyl acetate, 11-Hexadecen-7-yn-1-ol, acetate, (11E)-
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C18H30O2 |
| Molecular Weight | 278.22458 g/mol |
| XLogP | 5.8 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 12 |
| Exact Mass | 278.22458 Da |
| Heavy Atoms | 20 |
| Complexity | 317.0 |
| SMILES | CCCCC=CCCC#CCCCCCCOC(=O)C |
| InChIKey | APXMIZDFQAAIJF-UHFFFAOYSA-N |
Chemical Property Profile of Hexadec-11-en-7-ynyl acetate
Property Insights of Hexadec-11-en-7-ynyl acetate
The XLogP value of 5.8 indicates that Hexadec-11-en-7-ynyl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Hexadec-11-en-7-ynyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexadec-11-en-7-ynyl acetate 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 Hexadec-11-en-7-ynyl acetate?
The CAS number of Hexadec-11-en-7-ynyl acetate is 53042-80-1.
What is the molecular formula of Hexadec-11-en-7-ynyl acetate?
The molecular formula of Hexadec-11-en-7-ynyl acetate is C18H30O2.
What is the molecular weight of Hexadec-11-en-7-ynyl acetate?
The molecular weight of Hexadec-11-en-7-ynyl acetate is 278.22458 g/mol.
Where can I buy Hexadec-11-en-7-ynyl acetate?
You can request a quote for Hexadec-11-en-7-ynyl acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Hexadec-11-en-7-ynyl acetate?
Yes, CoreyChem provides custom synthesis services for Hexadec-11-en-7-ynyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.