2,2-Dimethyl-5,5-bis(hydroxymethyl)-1,3-dioxane
TL;DR: 2,2-Dimethyl-5,5-bis(hydroxymethyl)-1,3-dioxane (CAS 770-74-1) is a chemical compound with molecular formula C8H16O4 and molecular weight 176.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]methanol
Also Known As: [5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]methanol|1,3-Dioxane-5,5-dimethanol, 2,2-dimethyl-|(2,2-Dimethyl-1,3-dioxane-5,5-diyl)dimethanol|2,2-dimethyl-5,5-bis(hydroxymethyl)-1,3-dioxane|2,2-dimethyl-1,3-dioxane-5,5-dimethanol|NCI60_017599|2,2-Dimethyl-1,3-dioxane-5,5-bismethanol|5,5-di-(hydroxymethyl)-2,2-dimethyl-1,3-dioxane|J1.074.869K|5,5-di-(hydroxymethyl)-2,2-dimethyl-1,3dioxane|2,2-dimethyl-5,5-bis-(hydroxymethyl)-1,3-dioxane|RefChem:243503|RECJHOHNSXVBQN-UHFFFAOYSA-N|MFCD00483876
| Molecular Formula | C8H16O4 |
|---|---|
| Molecular Weight | 176.10 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 58.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 176.10486 |
| Heavy Atoms | 12 |
| Complexity | 139.0 |
Chemical Identifiers
| CAS Number | 770-74-1 |
|---|---|
| SMILES | CC1(OCC(CO1)(CO)CO)C |
| InChIKey | RECJHOHNSXVBQN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2-Dimethyl-5,5-bis(hydroxymethyl)-1,3-dioxane (CAS 770-74-1), with molecular formula C8H16O4 and molecular weight 176.10 g/mol. IUPAC: [5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]methanol.
Chemical Property Profile of 2,2-Dimethyl-5,5-bis(hydroxymethyl)-1,3-dioxane
Property Insights of 2,2-Dimethyl-5,5-bis(hydroxymethyl)-1,3-dioxane
The XLogP value of -0.8 indicates that 2,2-Dimethyl-5,5-bis(hydroxymethyl)-1,3-dioxane is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 58.9 Ų, 2,2-Dimethyl-5,5-bis(hydroxymethyl)-1,3-dioxane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Dimethyl-5,5-bis(hydroxymethyl)-1,3-dioxane has 2 hydrogen bond donor(s) and 4 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 2,2-Dimethyl-5,5-bis(hydroxymethyl)-1,3-dioxane?
The CAS number of 2,2-Dimethyl-5,5-bis(hydroxymethyl)-1,3-dioxane is 770-74-1.
What is the molecular formula of 2,2-Dimethyl-5,5-bis(hydroxymethyl)-1,3-dioxane?
The molecular formula of 2,2-Dimethyl-5,5-bis(hydroxymethyl)-1,3-dioxane is C8H16O4.
What is the molecular weight of 2,2-Dimethyl-5,5-bis(hydroxymethyl)-1,3-dioxane?
The molecular weight of 2,2-Dimethyl-5,5-bis(hydroxymethyl)-1,3-dioxane is 176.10 g/mol.
Where can I buy 2,2-Dimethyl-5,5-bis(hydroxymethyl)-1,3-dioxane?
You can request a quote for 2,2-Dimethyl-5,5-bis(hydroxymethyl)-1,3-dioxane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Dimethyl-5,5-bis(hydroxymethyl)-1,3-dioxane?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Dimethyl-5,5-bis(hydroxymethyl)-1,3-dioxane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.