Methoxymethylbutanol
TL;DR: Methoxymethylbutanol (CAS 56539-66-3) is a chemical compound with molecular formula C6H14O2 and molecular weight 118.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methoxy-3-methylbutan-1-ol
Also Known As: 3-Methoxy-3-methylbutan-1-ol, 3-Methoxy-3-methyl-1-butanol, 3-Methyl-3-methoxybutanol, 3-Methoxy-3-methylbutanol, METHOXYMETHYLBUTANOL
| Molecular Formula | C6H14O2 |
|---|---|
| Molecular Weight | 118.10 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 118.09938 |
| Heavy Atoms | 8 |
| Complexity | 59.0 |
Chemical Identifiers
| CAS Number | 56539-66-3 |
|---|---|
| SMILES | CC(C)(CCO)OC |
| InChIKey | MFKRHJVUCZRDTF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methoxymethylbutanol (CAS 56539-66-3), with molecular formula C6H14O2 and molecular weight 118.10 g/mol. IUPAC: 3-methoxy-3-methylbutan-1-ol.
Chemical Property Profile of Methoxymethylbutanol
Property Insights of Methoxymethylbutanol
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methoxymethylbutanol. With a topological polar surface area (TPSA) of 29.5 Ų, Methoxymethylbutanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methoxymethylbutanol has 1 hydrogen bond donor(s) and 2 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 Methoxymethylbutanol?
The CAS number of Methoxymethylbutanol is 56539-66-3.
What is the molecular formula of Methoxymethylbutanol?
The molecular formula of Methoxymethylbutanol is C6H14O2.
What is the molecular weight of Methoxymethylbutanol?
The molecular weight of Methoxymethylbutanol is 118.10 g/mol.
Where can I buy Methoxymethylbutanol?
You can request a quote for Methoxymethylbutanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methoxymethylbutanol?
Yes, KEHONG BIO provides custom synthesis services for Methoxymethylbutanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.