3,7-Dimethylocta-2,6-dienyl heptanoate
TL;DR: 3,7-Dimethylocta-2,6-dienyl heptanoate (CAS 258820-39-2) is a chemical compound with molecular formula C17H30O2 and molecular weight 266.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,7-dimethylocta-2,6-dienyl heptanoate
Also Known As: Geranyl heptanoate, Heptanoic acid, (2E)-3,7-dimethyl-2,6-octadienyl ester, Heptanoic acid, (2Z)-3,7-dimethyl-2,6-octadienyl ester, Heptanoic acid, 3,7-dimethyl-2,6-octadienyl ester, (E)-, Heptanoic acid, (2E)-3,7-dimethyl-2,6-octadien-1-yl ester
| Molecular Formula | C17H30O2 |
|---|---|
| Molecular Weight | 266.22 g/mol |
| LogP | 5.1927 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 10 |
| Exact Mass | 266.22458 |
| Heavy Atoms | 19 |
| Complexity | 296.3839 |
Chemical Identifiers
| CAS Number | 258820-39-2 |
|---|---|
| SMILES | CCCCCCC(=O)OCC=C(C)CCC=C(C)C |
Product Overview
3,7-Dimethylocta-2,6-dienyl heptanoate (CAS 258820-39-2), with molecular formula C17H30O2 and molecular weight 266.22 g/mol. IUPAC: 3,7-dimethylocta-2,6-dienyl heptanoate.
Chemical Property Profile of 3,7-Dimethylocta-2,6-dienyl heptanoate
Property Insights of 3,7-Dimethylocta-2,6-dienyl heptanoate
The XLogP value of 5.1927 indicates that 3,7-Dimethylocta-2,6-dienyl heptanoate 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 heptanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,7-Dimethylocta-2,6-dienyl heptanoate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,7-Dimethylocta-2,6-dienyl heptanoate?
The CAS number of 3,7-Dimethylocta-2,6-dienyl heptanoate is 258820-39-2.
What is the molecular formula of 3,7-Dimethylocta-2,6-dienyl heptanoate?
The molecular formula of 3,7-Dimethylocta-2,6-dienyl heptanoate is C17H30O2.
What is the molecular weight of 3,7-Dimethylocta-2,6-dienyl heptanoate?
The molecular weight of 3,7-Dimethylocta-2,6-dienyl heptanoate is 266.22 g/mol.
Where can I buy 3,7-Dimethylocta-2,6-dienyl heptanoate?
You can request a quote for 3,7-Dimethylocta-2,6-dienyl heptanoate 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 heptanoate?
Yes, KEHONG BIO provides custom synthesis services for 3,7-Dimethylocta-2,6-dienyl heptanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.