2,2-Diethyl-1,3-dioxolane-4-methanol
TL;DR: 2,2-Diethyl-1,3-dioxolane-4-methanol (CAS 5694-80-4) 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.
(2,2-diethyl-1,3-dioxolan-4-yl)methanol
Also Known As: 2,2-Diethyl-1,3-dioxolane-4-methanol, (2,2-diethyl-1,3-dioxolan-4-yl)methanol, 1,3-DIOXOLANE-4-METHANOL, 2,2-DIETHYL-, 4-19-00-00676 (Beilstein Handbook Reference), 2,2-Diethyl-4-hydroxymethyl-1,3-dioxolane
| Molecular Formula | C8H16O3 |
|---|---|
| Molecular Weight | 160.11 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 160.10994 |
| Heavy Atoms | 11 |
| Complexity | 121.0 |
Chemical Identifiers
| CAS Number | 5694-80-4 |
|---|---|
| SMILES | CCC1(OCC(O1)CO)CC |
| InChIKey | WEIVFXLGBXCVEF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2-Diethyl-1,3-dioxolane-4-methanol (CAS 5694-80-4), with molecular formula C8H16O3 and molecular weight 160.11 g/mol. IUPAC: (2,2-diethyl-1,3-dioxolan-4-yl)methanol.
Chemical Property Profile of 2,2-Diethyl-1,3-dioxolane-4-methanol
Property Insights of 2,2-Diethyl-1,3-dioxolane-4-methanol
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-Diethyl-1,3-dioxolane-4-methanol. With a topological polar surface area (TPSA) of 38.7 Ų, 2,2-Diethyl-1,3-dioxolane-4-methanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Diethyl-1,3-dioxolane-4-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 2,2-Diethyl-1,3-dioxolane-4-methanol?
The CAS number of 2,2-Diethyl-1,3-dioxolane-4-methanol is 5694-80-4.
What is the molecular formula of 2,2-Diethyl-1,3-dioxolane-4-methanol?
The molecular formula of 2,2-Diethyl-1,3-dioxolane-4-methanol is C8H16O3.
What is the molecular weight of 2,2-Diethyl-1,3-dioxolane-4-methanol?
The molecular weight of 2,2-Diethyl-1,3-dioxolane-4-methanol is 160.11 g/mol.
Where can I buy 2,2-Diethyl-1,3-dioxolane-4-methanol?
You can request a quote for 2,2-Diethyl-1,3-dioxolane-4-methanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Diethyl-1,3-dioxolane-4-methanol?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Diethyl-1,3-dioxolane-4-methanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.