Acetic acid, di-n-heptyl-, ethyl ester
TL;DR: Acetic acid, di-n-heptyl-, ethyl ester (CAS 63905-75-9) is a chemical compound with molecular formula C18H36O2 and molecular weight 284.27155 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-heptylnonanoate
Also Known As: ethyl 2-heptylnonanoate, Ethyl di-n-heptyl acetate, Diheptylacetic acid ethyl ester, ACETIC ACID, DI-n-HEPTYL-, ETHYL ESTER, Nonanoic acid,2-heptyl-,ethyl ester
Application Areas
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C18H36O2 |
| Molecular Weight | 284.27155 g/mol |
| XLogP | 7.7 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 15 |
| Exact Mass | 284.27155 Da |
| Heavy Atoms | 20 |
| Complexity | 199.0 |
| SMILES | CCCCCCCC(CCCCCCC)C(=O)OCC |
| InChIKey | XRCJOMAARACHTL-UHFFFAOYSA-N |
Chemical Property Profile of Acetic acid, di-n-heptyl-, ethyl ester
Property Insights of Acetic acid, di-n-heptyl-, ethyl ester
The XLogP value of 7.7 indicates that Acetic acid, di-n-heptyl-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Acetic acid, di-n-heptyl-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, di-n-heptyl-, ethyl ester 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 Acetic acid, di-n-heptyl-, ethyl ester?
The CAS number of Acetic acid, di-n-heptyl-, ethyl ester is 63905-75-9.
What is the molecular formula of Acetic acid, di-n-heptyl-, ethyl ester?
The molecular formula of Acetic acid, di-n-heptyl-, ethyl ester is C18H36O2.
What is the molecular weight of Acetic acid, di-n-heptyl-, ethyl ester?
The molecular weight of Acetic acid, di-n-heptyl-, ethyl ester is 284.27155 g/mol.
Where can I buy Acetic acid, di-n-heptyl-, ethyl ester?
You can request a quote for Acetic acid, di-n-heptyl-, ethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Acetic acid, di-n-heptyl-, ethyl ester?
Yes, CoreyChem provides custom synthesis services for Acetic acid, di-n-heptyl-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.