Neryl hexanoate
TL;DR: Neryl hexanoate (CAS 10032-02-7) is a chemical compound with molecular formula C16H28O2 and molecular weight 252.20892 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
己酸橙花酯
3,7-dimethylocta-2,6-dienyl hexanoate
Also Known As: Neryl hexanoate, Geranyl hexanoate, Geranyl caproate, Neryl caproate, 3,7-dimethylocta-2,6-dienyl hexanoate
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C16H28O2 |
| Molecular Weight | 252.20892 g/mol |
| XLogP | 5.4 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 10 |
| Exact Mass | 252.20892 Da |
| Heavy Atoms | 18 |
| Complexity | 283.0 |
| SMILES | CCCCCC(=O)OCC=C(C)CCC=C(C)C |
| InChIKey | ARVSCQUZFFSNKF-UHFFFAOYSA-N |
Chemical Property Profile of Neryl hexanoate
Property Insights of Neryl hexanoate
The XLogP value of 5.4 indicates that Neryl hexanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Neryl hexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Neryl hexanoate 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 Neryl hexanoate?
The CAS number of Neryl hexanoate is 10032-02-7.
What is the molecular formula of Neryl hexanoate?
The molecular formula of Neryl hexanoate is C16H28O2.
What is the molecular weight of Neryl hexanoate?
The molecular weight of Neryl hexanoate is 252.20892 g/mol.
Where can I buy Neryl hexanoate?
You can request a quote for Neryl hexanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Neryl hexanoate?
Yes, CoreyChem provides custom synthesis services for Neryl hexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.