(Z)-3,7-Dimethyl-2,6-octadienyl octanoate
TL;DR: (Z)-3,7-Dimethyl-2,6-octadienyl octanoate (CAS 71648-18-5) is a chemical compound with molecular formula C18H32O2 and molecular weight 280.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2Z)-3,7-dimethylocta-2,6-dienyl] octanoate
Also Known As: Geranyl octanoate, Neryl octanoate, EINECS 275-746-5, (Z)-3,7-Dimethyl-2,6-octadienyl octanoate, -3,7-dimethylocta-2,6-dienyloctanoate
| Molecular Formula | C18H32O2 |
|---|---|
| Molecular Weight | 280.24 g/mol |
| LogP | 5.5828 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 11 |
| Exact Mass | 280.24023 |
| Heavy Atoms | 20 |
| Complexity | 309.3799 |
Chemical Identifiers
| CAS Number | 71648-18-5 |
|---|---|
| SMILES | CCCCCCCC(=O)OC/C=C(/C)\CCC=C(C)C |
Product Overview
(Z)-3,7-Dimethyl-2,6-octadienyl octanoate (CAS 71648-18-5), with molecular formula C18H32O2 and molecular weight 280.24 g/mol. IUPAC: [(2Z)-3,7-dimethylocta-2,6-dienyl] octanoate.
Chemical Property Profile of (Z)-3,7-Dimethyl-2,6-octadienyl octanoate
Property Insights of (Z)-3,7-Dimethyl-2,6-octadienyl octanoate
The XLogP value of 5.5828 indicates that (Z)-3,7-Dimethyl-2,6-octadienyl octanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, (Z)-3,7-Dimethyl-2,6-octadienyl octanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Z)-3,7-Dimethyl-2,6-octadienyl octanoate 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 (Z)-3,7-Dimethyl-2,6-octadienyl octanoate?
The CAS number of (Z)-3,7-Dimethyl-2,6-octadienyl octanoate is 71648-18-5.
What is the molecular formula of (Z)-3,7-Dimethyl-2,6-octadienyl octanoate?
The molecular formula of (Z)-3,7-Dimethyl-2,6-octadienyl octanoate is C18H32O2.
What is the molecular weight of (Z)-3,7-Dimethyl-2,6-octadienyl octanoate?
The molecular weight of (Z)-3,7-Dimethyl-2,6-octadienyl octanoate is 280.24 g/mol.
Where can I buy (Z)-3,7-Dimethyl-2,6-octadienyl octanoate?
You can request a quote for (Z)-3,7-Dimethyl-2,6-octadienyl octanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-3,7-Dimethyl-2,6-octadienyl octanoate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-3,7-Dimethyl-2,6-octadienyl octanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.