1-(7-Ethoxy-3,7-dimethyloct-2-enoxy)-4-ethylbenzene
TL;DR: 1-(7-Ethoxy-3,7-dimethyloct-2-enoxy)-4-ethylbenzene (CAS 52730-76-4) is a chemical compound with molecular formula C20H32O2 and molecular weight 304.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(7-ethoxy-3,7-dimethyloct-2-enoxy)-4-ethylbenzene
Also Known As: -7-ethoxy-1-3,7-dimethyl-oct-2-ene, 7-Ethoxy-1-(p-ethylphenoxy)-3,7-dimethyl-2-octene, (E)-7-ETHOXY-1-(4-ETHYLPHENOXY)-3,7-DIMETHYL-OCT-2-ENE
| Molecular Formula | C20H32O2 |
|---|---|
| Molecular Weight | 304.24 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 10 |
| Exact Mass | 304.24023 |
| Heavy Atoms | 22 |
| Complexity | 312.0 |
Chemical Identifiers
| CAS Number | 52730-76-4 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)OCC=C(C)CCCC(C)(C)OCC |
| InChIKey | AQGCRTARAHYNAW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(7-Ethoxy-3,7-dimethyloct-2-enoxy)-4-ethylbenzene (CAS 52730-76-4), with molecular formula C20H32O2 and molecular weight 304.24 g/mol. IUPAC: 1-(7-ethoxy-3,7-dimethyloct-2-enoxy)-4-ethylbenzene.
Chemical Property Profile of 1-(7-Ethoxy-3,7-dimethyloct-2-enoxy)-4-ethylbenzene
Property Insights of 1-(7-Ethoxy-3,7-dimethyloct-2-enoxy)-4-ethylbenzene
The XLogP value of 5.6 indicates that 1-(7-Ethoxy-3,7-dimethyloct-2-enoxy)-4-ethylbenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.5 Ų, 1-(7-Ethoxy-3,7-dimethyloct-2-enoxy)-4-ethylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(7-Ethoxy-3,7-dimethyloct-2-enoxy)-4-ethylbenzene 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 1-(7-Ethoxy-3,7-dimethyloct-2-enoxy)-4-ethylbenzene?
The CAS number of 1-(7-Ethoxy-3,7-dimethyloct-2-enoxy)-4-ethylbenzene is 52730-76-4.
What is the molecular formula of 1-(7-Ethoxy-3,7-dimethyloct-2-enoxy)-4-ethylbenzene?
The molecular formula of 1-(7-Ethoxy-3,7-dimethyloct-2-enoxy)-4-ethylbenzene is C20H32O2.
What is the molecular weight of 1-(7-Ethoxy-3,7-dimethyloct-2-enoxy)-4-ethylbenzene?
The molecular weight of 1-(7-Ethoxy-3,7-dimethyloct-2-enoxy)-4-ethylbenzene is 304.24 g/mol.
Where can I buy 1-(7-Ethoxy-3,7-dimethyloct-2-enoxy)-4-ethylbenzene?
You can request a quote for 1-(7-Ethoxy-3,7-dimethyloct-2-enoxy)-4-ethylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(7-Ethoxy-3,7-dimethyloct-2-enoxy)-4-ethylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-(7-Ethoxy-3,7-dimethyloct-2-enoxy)-4-ethylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.