1-((8-Ethoxy-3,7-dimethyloctoxy)methyl)-4-methylbenzene
TL;DR: 1-((8-Ethoxy-3,7-dimethyloctoxy)methyl)-4-methylbenzene (CAS 98517-87-4) is a chemical compound with molecular formula C20H34O2 and molecular weight 306.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(8-ethoxy-3,7-dimethyloctoxy)methyl]-4-methylbenzene
Also Known As: 1-((8-Ethoxy-3,7-dimethyloctoxy)methyl)-4-methylbenzene, 1-[(8-ethoxy-3,7-dimethyloctoxy)methyl]-4-methylbenzene, 1-ethoxy-2,6-dimethyl-8-[(4-methylphenyl)methoxy]octane, 1-{[(8-Ethoxy-3,7-dimethyloctyl)oxy]methyl}-4-methylbenzene
| Molecular Formula | C20H34O2 |
|---|---|
| Molecular Weight | 306.26 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 12 |
| Exact Mass | 306.2559 |
| Heavy Atoms | 22 |
| Complexity | 246.0 |
Chemical Identifiers
| CAS Number | 98517-87-4 |
|---|---|
| SMILES | CCOCC(C)CCCC(C)CCOCC1=CC=C(C=C1)C |
| InChIKey | JIDYMKVBWXVBSX-UHFFFAOYSA-N |
Product Overview
1-((8-Ethoxy-3,7-dimethyloctoxy)methyl)-4-methylbenzene (CAS 98517-87-4), with molecular formula C20H34O2 and molecular weight 306.26 g/mol. IUPAC: 1-[(8-ethoxy-3,7-dimethyloctoxy)methyl]-4-methylbenzene.
Chemical Property Profile of 1-((8-Ethoxy-3,7-dimethyloctoxy)methyl)-4-methylbenzene
Property Insights of 1-((8-Ethoxy-3,7-dimethyloctoxy)methyl)-4-methylbenzene
The XLogP value of 5.5 indicates that 1-((8-Ethoxy-3,7-dimethyloctoxy)methyl)-4-methylbenzene 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-((8-Ethoxy-3,7-dimethyloctoxy)methyl)-4-methylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-((8-Ethoxy-3,7-dimethyloctoxy)methyl)-4-methylbenzene 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-((8-Ethoxy-3,7-dimethyloctoxy)methyl)-4-methylbenzene?
The CAS number of 1-((8-Ethoxy-3,7-dimethyloctoxy)methyl)-4-methylbenzene is 98517-87-4.
What is the molecular formula of 1-((8-Ethoxy-3,7-dimethyloctoxy)methyl)-4-methylbenzene?
The molecular formula of 1-((8-Ethoxy-3,7-dimethyloctoxy)methyl)-4-methylbenzene is C20H34O2.
What is the molecular weight of 1-((8-Ethoxy-3,7-dimethyloctoxy)methyl)-4-methylbenzene?
The molecular weight of 1-((8-Ethoxy-3,7-dimethyloctoxy)methyl)-4-methylbenzene is 306.26 g/mol.
Where can I buy 1-((8-Ethoxy-3,7-dimethyloctoxy)methyl)-4-methylbenzene?
You can request a quote for 1-((8-Ethoxy-3,7-dimethyloctoxy)methyl)-4-methylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-((8-Ethoxy-3,7-dimethyloctoxy)methyl)-4-methylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-((8-Ethoxy-3,7-dimethyloctoxy)methyl)-4-methylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.