(2-tert-Butyl-2-methyl-1,3-dioxolan-4-yl)methanol
TL;DR: (2-tert-Butyl-2-methyl-1,3-dioxolan-4-yl)methanol (CAS 63979-50-0) is a chemical compound with molecular formula C9H18O3 and molecular weight 174.1256 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2-tert-butyl-2-methyl-1,3-dioxolan-4-yl)methanol
Also Known As: 2-t-Butyl-2-methyl-1,3-dioxolane-4-methanol, (2-tert-butyl-2-methyl-1,3-dioxolan-4-yl)methanol, 2-tert-Butyl-2-methyl-1,3-dioxolane-4-methanol, 1,3-DIOXOLANE-4-METHANOL, 2-t-BUTYL-2-METHYL-, 4-19-00-00679 (Beilstein Handbook Reference)
Technical Specifications
| Molecular Formula | C9H18O3 |
| Molecular Weight | 174.1256 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 38.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 174.1256 Da |
| Heavy Atoms | 12 |
| Complexity | 162.0 |
| SMILES | CC1(OCC(O1)CO)C(C)(C)C |
| InChIKey | BBWWZOFDJOJRFA-UHFFFAOYSA-N |
Chemical Property Profile of (2-tert-Butyl-2-methyl-1,3-dioxolan-4-yl)methanol
Property Insights of (2-tert-Butyl-2-methyl-1,3-dioxolan-4-yl)methanol
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-tert-Butyl-2-methyl-1,3-dioxolan-4-yl)methanol. With a topological polar surface area (TPSA) of 38.7 Ų, (2-tert-Butyl-2-methyl-1,3-dioxolan-4-yl)methanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2-tert-Butyl-2-methyl-1,3-dioxolan-4-yl)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
What is the CAS number of (2-tert-Butyl-2-methyl-1,3-dioxolan-4-yl)methanol?
The CAS number of (2-tert-Butyl-2-methyl-1,3-dioxolan-4-yl)methanol is 63979-50-0.
What is the molecular formula of (2-tert-Butyl-2-methyl-1,3-dioxolan-4-yl)methanol?
The molecular formula of (2-tert-Butyl-2-methyl-1,3-dioxolan-4-yl)methanol is C9H18O3.
What is the molecular weight of (2-tert-Butyl-2-methyl-1,3-dioxolan-4-yl)methanol?
The molecular weight of (2-tert-Butyl-2-methyl-1,3-dioxolan-4-yl)methanol is 174.1256 g/mol.
Where can I buy (2-tert-Butyl-2-methyl-1,3-dioxolan-4-yl)methanol?
You can request a quote for (2-tert-Butyl-2-methyl-1,3-dioxolan-4-yl)methanol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (2-tert-Butyl-2-methyl-1,3-dioxolan-4-yl)methanol?
Yes, CoreyChem provides custom synthesis services for (2-tert-Butyl-2-methyl-1,3-dioxolan-4-yl)methanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.