5,5-Dimethyl-1,3-dioxane-2-ethanol
TL;DR: 5,5-Dimethyl-1,3-dioxane-2-ethanol (CAS 116141-68-5) is a chemical compound with molecular formula C8H16O3 and molecular weight 160.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5,5-dimethyl-1,3-dioxan-2-yl)ethanol
Also Known As: 5,5-Dimethyl-1,3-dioxane-2-ethanol, starbld0008091, 2-(5,5-dimethyl-1,3-dioxan-2-yl)ethan-1-ol, 2-(5,5-dimethyl-1,3-dioxan-2-yl)ethanol, 1,3-Dioxane-2-ethanol,5,5-dimethyl-
| Molecular Formula | C8H16O3 |
|---|---|
| Molecular Weight | 160.11 g/mol |
| LogP | 0.7679 |
| Topological Polar Surface Area | 38.69 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 160.10994 |
| Heavy Atoms | 11 |
| Complexity | 112.50558 |
Chemical Identifiers
| CAS Number | 116141-68-5 |
|---|---|
| SMILES | CC1(COC(OC1)CCO)C |
Product Overview
5,5-Dimethyl-1,3-dioxane-2-ethanol (CAS 116141-68-5), with molecular formula C8H16O3 and molecular weight 160.11 g/mol. IUPAC: 2-(5,5-dimethyl-1,3-dioxan-2-yl)ethanol.
Chemical Property Profile of 5,5-Dimethyl-1,3-dioxane-2-ethanol
Property Insights of 5,5-Dimethyl-1,3-dioxane-2-ethanol
The XLogP value of 0.7679 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,5-Dimethyl-1,3-dioxane-2-ethanol. With a topological polar surface area (TPSA) of 38.69 Ų, 5,5-Dimethyl-1,3-dioxane-2-ethanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,5-Dimethyl-1,3-dioxane-2-ethanol has 1 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 5,5-Dimethyl-1,3-dioxane-2-ethanol?
The CAS number of 5,5-Dimethyl-1,3-dioxane-2-ethanol is 116141-68-5.
What is the molecular formula of 5,5-Dimethyl-1,3-dioxane-2-ethanol?
The molecular formula of 5,5-Dimethyl-1,3-dioxane-2-ethanol is C8H16O3.
What is the molecular weight of 5,5-Dimethyl-1,3-dioxane-2-ethanol?
The molecular weight of 5,5-Dimethyl-1,3-dioxane-2-ethanol is 160.11 g/mol.
Where can I buy 5,5-Dimethyl-1,3-dioxane-2-ethanol?
You can request a quote for 5,5-Dimethyl-1,3-dioxane-2-ethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,5-Dimethyl-1,3-dioxane-2-ethanol?
Yes, KEHONG BIO provides custom synthesis services for 5,5-Dimethyl-1,3-dioxane-2-ethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.