1,3-Dioxane-2-propanol, 4,4,6-trimethyl-alpha-propyl-
TL;DR: 1,3-Dioxane-2-propanol, 4,4,6-trimethyl-alpha-propyl- (CAS 68568-80-9) is a chemical compound with molecular formula C13H26O3 and molecular weight 230.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4,4,6-trimethyl-1,3-dioxan-2-yl)hexan-3-ol
Also Known As: 4,4,6-Trimethyl-alpha-propyl-1,3-dioxane-2-propanol, 2-(3-Hydroxyhexyl)-4,4,6-trimethyl-1,3-dioxane, 1-(4,4,6-trimethyl-1,3-dioxan-2-yl)hexan-3-ol, 1,3-Dioxane-2-propanol, 4,4,6-trimethyl-.alpha.-propyl-, 1,3-Dioxane-2-propanol, 4,4,6-trimethyl-alpha-propyl-
| Molecular Formula | C13H26O3 |
|---|---|
| Molecular Weight | 230.19 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 230.1882 |
| Heavy Atoms | 16 |
| Complexity | 203.0 |
Chemical Identifiers
| CAS Number | 68568-80-9 |
|---|---|
| SMILES | CCCC(CCC1OC(CC(O1)(C)C)C)O |
| InChIKey | PGJWDNHHHKORMH-UHFFFAOYSA-N |
Product Overview
1,3-Dioxane-2-propanol, 4,4,6-trimethyl-alpha-propyl- (CAS 68568-80-9), with molecular formula C13H26O3 and molecular weight 230.19 g/mol. IUPAC: 1-(4,4,6-trimethyl-1,3-dioxan-2-yl)hexan-3-ol.
Chemical Property Profile of 1,3-Dioxane-2-propanol, 4,4,6-trimethyl-alpha-propyl-
Property Insights of 1,3-Dioxane-2-propanol, 4,4,6-trimethyl-alpha-propyl-
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dioxane-2-propanol, 4,4,6-trimethyl-alpha-propyl-. With a topological polar surface area (TPSA) of 38.7 Ų, 1,3-Dioxane-2-propanol, 4,4,6-trimethyl-alpha-propyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dioxane-2-propanol, 4,4,6-trimethyl-alpha-propyl- 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 1,3-Dioxane-2-propanol, 4,4,6-trimethyl-alpha-propyl-?
The CAS number of 1,3-Dioxane-2-propanol, 4,4,6-trimethyl-alpha-propyl- is 68568-80-9.
What is the molecular formula of 1,3-Dioxane-2-propanol, 4,4,6-trimethyl-alpha-propyl-?
The molecular formula of 1,3-Dioxane-2-propanol, 4,4,6-trimethyl-alpha-propyl- is C13H26O3.
What is the molecular weight of 1,3-Dioxane-2-propanol, 4,4,6-trimethyl-alpha-propyl-?
The molecular weight of 1,3-Dioxane-2-propanol, 4,4,6-trimethyl-alpha-propyl- is 230.19 g/mol.
Where can I buy 1,3-Dioxane-2-propanol, 4,4,6-trimethyl-alpha-propyl-?
You can request a quote for 1,3-Dioxane-2-propanol, 4,4,6-trimethyl-alpha-propyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dioxane-2-propanol, 4,4,6-trimethyl-alpha-propyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dioxane-2-propanol, 4,4,6-trimethyl-alpha-propyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.