Isovaleric acid (4,7-dimethyl-1,6-octadien-3-YL) ester
TL;DR: Isovaleric acid (4,7-dimethyl-1,6-octadien-3-YL) ester (CAS 50649-12-2) is a chemical compound with molecular formula C15H26O2 and molecular weight 238.19328 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4,7-dimethylocta-1,6-dien-3-yl 3-methylbutanoate
Also Known As: Linalyl isovalerate, Linalyl isopentanoate, Linalyl isovalerianate, Linalyl 3-methylbutanoate, Isovaleric acid, linalyl ester
Technical Specifications
| Molecular Formula | C15H26O2 |
| Molecular Weight | 238.19328 g/mol |
| XLogP | 4.8 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 238.19328 Da |
| Heavy Atoms | 17 |
| Complexity | 273.0 |
| SMILES | CC(C)CC(=O)OC(C=C)C(C)CC=C(C)C |
| InChIKey | HEFIQLWSSMNWLQ-UHFFFAOYSA-N |
Chemical Property Profile of Isovaleric acid (4,7-dimethyl-1,6-octadien-3-YL) ester
Property Insights of Isovaleric acid (4,7-dimethyl-1,6-octadien-3-YL) ester
The XLogP value of 4.8 indicates that Isovaleric acid (4,7-dimethyl-1,6-octadien-3-YL) 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, Isovaleric acid (4,7-dimethyl-1,6-octadien-3-YL) ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isovaleric acid (4,7-dimethyl-1,6-octadien-3-YL) ester 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
What is the CAS number of Isovaleric acid (4,7-dimethyl-1,6-octadien-3-YL) ester?
The CAS number of Isovaleric acid (4,7-dimethyl-1,6-octadien-3-YL) ester is 50649-12-2.
What is the molecular formula of Isovaleric acid (4,7-dimethyl-1,6-octadien-3-YL) ester?
The molecular formula of Isovaleric acid (4,7-dimethyl-1,6-octadien-3-YL) ester is C15H26O2.
What is the molecular weight of Isovaleric acid (4,7-dimethyl-1,6-octadien-3-YL) ester?
The molecular weight of Isovaleric acid (4,7-dimethyl-1,6-octadien-3-YL) ester is 238.19328 g/mol.
Where can I buy Isovaleric acid (4,7-dimethyl-1,6-octadien-3-YL) ester?
You can request a quote for Isovaleric acid (4,7-dimethyl-1,6-octadien-3-YL) ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Isovaleric acid (4,7-dimethyl-1,6-octadien-3-YL) ester?
Yes, CoreyChem provides custom synthesis services for Isovaleric acid (4,7-dimethyl-1,6-octadien-3-YL) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.