5-Methyl-1,3-dioxane-5-methanol
TL;DR: 5-Methyl-1,3-dioxane-5-methanol (CAS 1121-97-7) is a chemical compound with molecular formula C6H12O3 and molecular weight 132.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-methyl-1,3-dioxan-5-yl)methanol
Also Known As: (5-methyl-1,3-dioxan-5-yl)methanol, 5-Hydroxymethyl-5-methyl-1,3-dioxane, 5-Methyl-1,3-dioxane-5-methanol, 1, 5-methyl-, 1,3-Dioxane-5-methanol, 5-methyl-
| Molecular Formula | C6H12O3 |
|---|---|
| Molecular Weight | 132.08 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 132.07864 |
| Heavy Atoms | 9 |
| Complexity | 86.0 |
Chemical Identifiers
| CAS Number | 1121-97-7 |
|---|---|
| SMILES | CC1(COCOC1)CO |
| InChIKey | XZDDZTGNCUMJHI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Methyl-1,3-dioxane-5-methanol (CAS 1121-97-7), with molecular formula C6H12O3 and molecular weight 132.08 g/mol. IUPAC: (5-methyl-1,3-dioxan-5-yl)methanol.
Chemical Property Profile of 5-Methyl-1,3-dioxane-5-methanol
Property Insights of 5-Methyl-1,3-dioxane-5-methanol
The XLogP value of -0.2 indicates that 5-Methyl-1,3-dioxane-5-methanol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 38.7 Ų, 5-Methyl-1,3-dioxane-5-methanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methyl-1,3-dioxane-5-methanol 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-Methyl-1,3-dioxane-5-methanol?
The CAS number of 5-Methyl-1,3-dioxane-5-methanol is 1121-97-7.
What is the molecular formula of 5-Methyl-1,3-dioxane-5-methanol?
The molecular formula of 5-Methyl-1,3-dioxane-5-methanol is C6H12O3.
What is the molecular weight of 5-Methyl-1,3-dioxane-5-methanol?
The molecular weight of 5-Methyl-1,3-dioxane-5-methanol is 132.08 g/mol.
Where can I buy 5-Methyl-1,3-dioxane-5-methanol?
You can request a quote for 5-Methyl-1,3-dioxane-5-methanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methyl-1,3-dioxane-5-methanol?
Yes, KEHONG BIO provides custom synthesis services for 5-Methyl-1,3-dioxane-5-methanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.