3,7-Dimethylocta-2,6-dienyl pentanoate
TL;DR: 3,7-Dimethylocta-2,6-dienyl pentanoate (CAS 10402-47-8) is a chemical compound with molecular formula C15H26O2 and molecular weight 238.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,7-dimethylocta-2,6-dienyl pentanoate
Also Known As: Neryl valerate, Geranyl valerate, (Z)-3,7-Dimethylocta-2,6-dienyl valerate, (Z)-3,7-Dimethylocta-2,6-dienyl pentanoate, Valeric acid, (Z)-3,7-dimethyl-2,6-octadienyl ester
| Molecular Formula | C15H26O2 |
|---|---|
| Molecular Weight | 238.19 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 238.19328 |
| Heavy Atoms | 17 |
| Complexity | 271.0 |
Chemical Identifiers
| CAS Number | 10402-47-8 |
|---|---|
| SMILES | CCCCC(=O)OCC=C(C)CCC=C(C)C |
| InChIKey | CVSWGLSBJFKWMW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,7-Dimethylocta-2,6-dienyl pentanoate (CAS 10402-47-8), with molecular formula C15H26O2 and molecular weight 238.19 g/mol. IUPAC: 3,7-dimethylocta-2,6-dienyl pentanoate.
Chemical Property Profile of 3,7-Dimethylocta-2,6-dienyl pentanoate
Property Insights of 3,7-Dimethylocta-2,6-dienyl pentanoate
The XLogP value of 4.8 indicates that 3,7-Dimethylocta-2,6-dienyl pentanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 3,7-Dimethylocta-2,6-dienyl pentanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,7-Dimethylocta-2,6-dienyl pentanoate 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
Frequently Asked Questions
What is the CAS number of 3,7-Dimethylocta-2,6-dienyl pentanoate?
The CAS number of 3,7-Dimethylocta-2,6-dienyl pentanoate is 10402-47-8.
What is the molecular formula of 3,7-Dimethylocta-2,6-dienyl pentanoate?
The molecular formula of 3,7-Dimethylocta-2,6-dienyl pentanoate is C15H26O2.
What is the molecular weight of 3,7-Dimethylocta-2,6-dienyl pentanoate?
The molecular weight of 3,7-Dimethylocta-2,6-dienyl pentanoate is 238.19 g/mol.
Where can I buy 3,7-Dimethylocta-2,6-dienyl pentanoate?
You can request a quote for 3,7-Dimethylocta-2,6-dienyl pentanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,7-Dimethylocta-2,6-dienyl pentanoate?
Yes, KEHONG BIO provides custom synthesis services for 3,7-Dimethylocta-2,6-dienyl pentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.