1-(2,2-Dimethoxyethoxy)-2-ethylhexane
TL;DR: 1-(2,2-Dimethoxyethoxy)-2-ethylhexane (CAS 53533-25-8) is a chemical compound with molecular formula C12H26O3 and molecular weight 218.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,2-dimethoxyethoxymethyl)heptane
Also Known As: 1-(2,2-Dimethoxyethoxy)-2-ethylhexane, 1- -2-ethylhexane, 3-(2,2-dimethoxyethoxymethyl)heptane, 3-[(2,2-dimethoxyethoxy)methyl]heptane, N-Ethyl-N-methoxycarbonylethyl aniline
| Molecular Formula | C12H26O3 |
|---|---|
| Molecular Weight | 218.19 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 218.1882 |
| Heavy Atoms | 15 |
| Complexity | 124.0 |
Chemical Identifiers
| CAS Number | 53533-25-8 |
|---|---|
| SMILES | CCCCC(CC)COCC(OC)OC |
| InChIKey | DMBSAAZSRLMQPK-UHFFFAOYSA-N |
Product Overview
1-(2,2-Dimethoxyethoxy)-2-ethylhexane (CAS 53533-25-8), with molecular formula C12H26O3 and molecular weight 218.19 g/mol. IUPAC: 3-(2,2-dimethoxyethoxymethyl)heptane.
Chemical Property Profile of 1-(2,2-Dimethoxyethoxy)-2-ethylhexane
Property Insights of 1-(2,2-Dimethoxyethoxy)-2-ethylhexane
The XLogP value of 3.1 indicates that 1-(2,2-Dimethoxyethoxy)-2-ethylhexane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.7 Ų, 1-(2,2-Dimethoxyethoxy)-2-ethylhexane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2,2-Dimethoxyethoxy)-2-ethylhexane has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(2,2-Dimethoxyethoxy)-2-ethylhexane?
The CAS number of 1-(2,2-Dimethoxyethoxy)-2-ethylhexane is 53533-25-8.
What is the molecular formula of 1-(2,2-Dimethoxyethoxy)-2-ethylhexane?
The molecular formula of 1-(2,2-Dimethoxyethoxy)-2-ethylhexane is C12H26O3.
What is the molecular weight of 1-(2,2-Dimethoxyethoxy)-2-ethylhexane?
The molecular weight of 1-(2,2-Dimethoxyethoxy)-2-ethylhexane is 218.19 g/mol.
Where can I buy 1-(2,2-Dimethoxyethoxy)-2-ethylhexane?
You can request a quote for 1-(2,2-Dimethoxyethoxy)-2-ethylhexane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2,2-Dimethoxyethoxy)-2-ethylhexane?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,2-Dimethoxyethoxy)-2-ethylhexane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.