1,3-Dioxolane-4-methanol, 2-butyl-2-methyl-
TL;DR: 1,3-Dioxolane-4-methanol, 2-butyl-2-methyl- (CAS 5694-76-8) 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-butyl-2-methyl-1,3-dioxolan-4-yl)methanol
Also Known As: 2-Butyl-2-methyl-1,3-dioxolane-4-methanol, (2-butyl-2-methyl-1,3-dioxolan-4-yl)methanol, 1,3-DIOXOLANE-4-METHANOL, 2-BUTYL-2-METHYL-, 5-19-02-00406 (Beilstein Handbook Reference), 1,3-DIOXOLANE-4-METHANOL,2-BUTYL-2-METHYL
| Molecular Formula | C9H18O3 |
|---|---|
| Molecular Weight | 174.13 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 174.1256 |
| Heavy Atoms | 12 |
| Complexity | 138.0 |
Chemical Identifiers
| CAS Number | 5694-76-8 |
|---|---|
| SMILES | CCCCC1(OCC(O1)CO)C |
| InChIKey | ZQWSMVNUPDUGRL-UHFFFAOYSA-N |
Product Overview
1,3-Dioxolane-4-methanol, 2-butyl-2-methyl- (CAS 5694-76-8), with molecular formula C9H18O3 and molecular weight 174.13 g/mol. IUPAC: (2-butyl-2-methyl-1,3-dioxolan-4-yl)methanol.
Chemical Property Profile of 1,3-Dioxolane-4-methanol, 2-butyl-2-methyl-
Property Insights of 1,3-Dioxolane-4-methanol, 2-butyl-2-methyl-
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dioxolane-4-methanol, 2-butyl-2-methyl-. With a topological polar surface area (TPSA) of 38.7 Ų, 1,3-Dioxolane-4-methanol, 2-butyl-2-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dioxolane-4-methanol, 2-butyl-2-methyl- 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 1,3-Dioxolane-4-methanol, 2-butyl-2-methyl-?
The CAS number of 1,3-Dioxolane-4-methanol, 2-butyl-2-methyl- is 5694-76-8.
What is the molecular formula of 1,3-Dioxolane-4-methanol, 2-butyl-2-methyl-?
The molecular formula of 1,3-Dioxolane-4-methanol, 2-butyl-2-methyl- is C9H18O3.
What is the molecular weight of 1,3-Dioxolane-4-methanol, 2-butyl-2-methyl-?
The molecular weight of 1,3-Dioxolane-4-methanol, 2-butyl-2-methyl- is 174.13 g/mol.
Where can I buy 1,3-Dioxolane-4-methanol, 2-butyl-2-methyl-?
You can request a quote for 1,3-Dioxolane-4-methanol, 2-butyl-2-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dioxolane-4-methanol, 2-butyl-2-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dioxolane-4-methanol, 2-butyl-2-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.