2-Isobutyl-2-methyl-1,3-dioxolane-4-methanol
TL;DR: 2-Isobutyl-2-methyl-1,3-dioxolane-4-methanol (CAS 5660-53-7) is a chemical compound with molecular formula C9H18O3 and molecular weight 174.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]methanol
Also Known As: 2-Isobutyl-2-methyl-1,3-dioxolane-4-methanol, 1, 2-isobutyl-2-methyl-, 1,3-Dioxolane-4-methanol, 2-methyl-2-(2-methylpropyl)-, 1,2-(iso-butylethylidene)glycerol, [2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]methanol
| Molecular Formula | C9H18O3 |
|---|---|
| Molecular Weight | 174.13 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 174.1256 |
| Heavy Atoms | 12 |
| Complexity | 147.0 |
Chemical Identifiers
| CAS Number | 5660-53-7 |
|---|---|
| SMILES | CC(C)CC1(OCC(O1)CO)C |
| InChIKey | DFDWGIZZMBNYBV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Isobutyl-2-methyl-1,3-dioxolane-4-methanol (CAS 5660-53-7), with molecular formula C9H18O3 and molecular weight 174.13 g/mol. IUPAC: [2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]methanol.
Chemical Property Profile of 2-Isobutyl-2-methyl-1,3-dioxolane-4-methanol
Property Insights of 2-Isobutyl-2-methyl-1,3-dioxolane-4-methanol
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Isobutyl-2-methyl-1,3-dioxolane-4-methanol. With a topological polar surface area (TPSA) of 38.7 Ų, 2-Isobutyl-2-methyl-1,3-dioxolane-4-methanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Isobutyl-2-methyl-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-Isobutyl-2-methyl-1,3-dioxolane-4-methanol?
The CAS number of 2-Isobutyl-2-methyl-1,3-dioxolane-4-methanol is 5660-53-7.
What is the molecular formula of 2-Isobutyl-2-methyl-1,3-dioxolane-4-methanol?
The molecular formula of 2-Isobutyl-2-methyl-1,3-dioxolane-4-methanol is C9H18O3.
What is the molecular weight of 2-Isobutyl-2-methyl-1,3-dioxolane-4-methanol?
The molecular weight of 2-Isobutyl-2-methyl-1,3-dioxolane-4-methanol is 174.13 g/mol.
Where can I buy 2-Isobutyl-2-methyl-1,3-dioxolane-4-methanol?
You can request a quote for 2-Isobutyl-2-methyl-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-Isobutyl-2-methyl-1,3-dioxolane-4-methanol?
Yes, KEHONG BIO provides custom synthesis services for 2-Isobutyl-2-methyl-1,3-dioxolane-4-methanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.