1,1-Diethoxy-3,5,5-trimethylhexane
TL;DR: 1,1-Diethoxy-3,5,5-trimethylhexane (CAS 86198-35-8) is a chemical compound with molecular formula C13H28O2 and molecular weight 216.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-diethoxy-3,5,5-trimethylhexane
Also Known As: Alpinal diethyl acetal, 1,1-Diethoxy-3,5,5-trimethylhexane, EINECS 289-204-0, Hexane,1,1-diethoxy-3,5,5-trimethyl-, Hexane, 1,1-diethoxy-3,5,5-trimethyl-
| Molecular Formula | C13H28O2 |
|---|---|
| Molecular Weight | 216.21 g/mol |
| LogP | 3.8479 |
| Topological Polar Surface Area | 18.46 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 216.20892 |
| Heavy Atoms | 15 |
| Complexity | 143.10516 |
Chemical Identifiers
| CAS Number | 86198-35-8 |
|---|---|
| SMILES | CCOC(CC(C)CC(C)(C)C)OCC |
Product Overview
1,1-Diethoxy-3,5,5-trimethylhexane (CAS 86198-35-8), with molecular formula C13H28O2 and molecular weight 216.21 g/mol. IUPAC: 1,1-diethoxy-3,5,5-trimethylhexane.
Chemical Property Profile of 1,1-Diethoxy-3,5,5-trimethylhexane
Property Insights of 1,1-Diethoxy-3,5,5-trimethylhexane
The XLogP value of 3.8479 indicates that 1,1-Diethoxy-3,5,5-trimethylhexane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.46 Ų, 1,1-Diethoxy-3,5,5-trimethylhexane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1-Diethoxy-3,5,5-trimethylhexane has 0 hydrogen bond donor(s) and 2 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 1,1-Diethoxy-3,5,5-trimethylhexane?
The CAS number of 1,1-Diethoxy-3,5,5-trimethylhexane is 86198-35-8.
What is the molecular formula of 1,1-Diethoxy-3,5,5-trimethylhexane?
The molecular formula of 1,1-Diethoxy-3,5,5-trimethylhexane is C13H28O2.
What is the molecular weight of 1,1-Diethoxy-3,5,5-trimethylhexane?
The molecular weight of 1,1-Diethoxy-3,5,5-trimethylhexane is 216.21 g/mol.
Where can I buy 1,1-Diethoxy-3,5,5-trimethylhexane?
You can request a quote for 1,1-Diethoxy-3,5,5-trimethylhexane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1-Diethoxy-3,5,5-trimethylhexane?
Yes, KEHONG BIO provides custom synthesis services for 1,1-Diethoxy-3,5,5-trimethylhexane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.