Linalyl isovalerate
TL;DR: Linalyl isovalerate (CAS 125187-56-6) 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.
3,7-dimethylocta-1,6-dien-3-yl 3-methylbutanoate
Also Known As: Linalyl isovalerate, Linalyl isopentanoate, Linalyl 3-methylbutanoate, Linalyl iso-valerate, Linalyl isovalerianate
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C15H26O2 |
| Molecular Weight | 238.19328 g/mol |
| XLogP | 4.6 |
| 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 | 285.0 |
| Boiling Point | 188.00 °C. @ 760.00 mm Hg |
| Density | 0.880-0.888 |
| Refractive Index | 1.448-1.453 |
| Solubility | insoluble in water, soluble in alcohol and oils |
| SMILES | CC(C)CC(=O)OC(C)(CCC=C(C)C)C=C |
| InChIKey | WCDGWAIZRYMVOW-UHFFFAOYSA-N |
Chemical Property Profile of Linalyl isovalerate
Property Insights of Linalyl isovalerate
The XLogP value of 4.6 indicates that Linalyl isovalerate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Linalyl isovalerate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Linalyl isovalerate 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 Linalyl isovalerate?
The CAS number of Linalyl isovalerate is 125187-56-6.
What is the molecular formula of Linalyl isovalerate?
The molecular formula of Linalyl isovalerate is C15H26O2.
What is the molecular weight of Linalyl isovalerate?
The molecular weight of Linalyl isovalerate is 238.19328 g/mol.
Where can I buy Linalyl isovalerate?
You can request a quote for Linalyl isovalerate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Linalyl isovalerate?
Yes, CoreyChem provides custom synthesis services for Linalyl isovalerate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.