3,7-Dimethyl-6-octenyl 3,7-dimethyloct-6-enoate
TL;DR: 3,7-Dimethyl-6-octenyl 3,7-dimethyloct-6-enoate (CAS 82766-40-3) is a chemical compound with molecular formula C20H36O2 and molecular weight 308.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,7-dimethyloct-6-enyl 3,7-dimethyloct-6-enoate
Also Known As: citronellyl citronellate, EINECS 280-025-3, 3,7-Dimethyl-6-octenyl 3,7-dimethyloct-6-enoate, 3,7-dimethyloct-6-enyl 3,7-dimethyloct-6-enoate, 3,7-DIMETHYLOCT-6-EN-1-YL 3,7-DIMETHYLOCT-6-ENOATE
| Molecular Formula | C20H36O2 |
|---|---|
| Molecular Weight | 308.27 g/mol |
| LogP | 6.0748 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 11 |
| Exact Mass | 308.27155 |
| Heavy Atoms | 22 |
| Complexity | 357.90353 |
Chemical Identifiers
| CAS Number | 82766-40-3 |
|---|---|
| SMILES | CC(CCC=C(C)C)CCOC(=O)CC(C)CCC=C(C)C |
Product Overview
3,7-Dimethyl-6-octenyl 3,7-dimethyloct-6-enoate (CAS 82766-40-3), with molecular formula C20H36O2 and molecular weight 308.27 g/mol. IUPAC: 3,7-dimethyloct-6-enyl 3,7-dimethyloct-6-enoate.
Chemical Property Profile of 3,7-Dimethyl-6-octenyl 3,7-dimethyloct-6-enoate
Property Insights of 3,7-Dimethyl-6-octenyl 3,7-dimethyloct-6-enoate
The XLogP value of 6.0748 indicates that 3,7-Dimethyl-6-octenyl 3,7-dimethyloct-6-enoate 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-Dimethyl-6-octenyl 3,7-dimethyloct-6-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,7-Dimethyl-6-octenyl 3,7-dimethyloct-6-enoate 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-Dimethyl-6-octenyl 3,7-dimethyloct-6-enoate?
The CAS number of 3,7-Dimethyl-6-octenyl 3,7-dimethyloct-6-enoate is 82766-40-3.
What is the molecular formula of 3,7-Dimethyl-6-octenyl 3,7-dimethyloct-6-enoate?
The molecular formula of 3,7-Dimethyl-6-octenyl 3,7-dimethyloct-6-enoate is C20H36O2.
What is the molecular weight of 3,7-Dimethyl-6-octenyl 3,7-dimethyloct-6-enoate?
The molecular weight of 3,7-Dimethyl-6-octenyl 3,7-dimethyloct-6-enoate is 308.27 g/mol.
Where can I buy 3,7-Dimethyl-6-octenyl 3,7-dimethyloct-6-enoate?
You can request a quote for 3,7-Dimethyl-6-octenyl 3,7-dimethyloct-6-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,7-Dimethyl-6-octenyl 3,7-dimethyloct-6-enoate?
Yes, KEHONG BIO provides custom synthesis services for 3,7-Dimethyl-6-octenyl 3,7-dimethyloct-6-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.