1-tert-Butoxy-2-methyl-3-buten-2-ol
TL;DR: 1-tert-Butoxy-2-methyl-3-buten-2-ol (CAS 3605-81-0) is a chemical compound with molecular formula C9H18O2 and molecular weight 158.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-1-[(2-methylpropan-2-yl)oxy]but-3-en-2-ol
Also Known As: 1-tert-Butoxy-2-methyl-3-buten-2-ol, 1-tert-butoxy-2-methylbut-3-en-2-ol, 1-(TERT-BUTOXY)-2-METHYLBUT-3-EN-2-OL, 1-(1,1-Dimethylethoxy)-2-methyl-3-buten-2-ol, 2-methyl-1-[(2-methylpropan-2-yl)oxy]but-3-en-2-ol
| Molecular Formula | C9H18O2 |
|---|---|
| Molecular Weight | 158.13 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 158.13068 |
| Heavy Atoms | 11 |
| Complexity | 135.0 |
Chemical Identifiers
| CAS Number | 3605-81-0 |
|---|---|
| SMILES | CC(C)(C)OCC(C)(C=C)O |
| InChIKey | WRAUWFNNRPSRJR-UHFFFAOYSA-N |
Product Overview
1-tert-Butoxy-2-methyl-3-buten-2-ol (CAS 3605-81-0), with molecular formula C9H18O2 and molecular weight 158.13 g/mol. IUPAC: 2-methyl-1-[(2-methylpropan-2-yl)oxy]but-3-en-2-ol.
Chemical Property Profile of 1-tert-Butoxy-2-methyl-3-buten-2-ol
Property Insights of 1-tert-Butoxy-2-methyl-3-buten-2-ol
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-tert-Butoxy-2-methyl-3-buten-2-ol. With a topological polar surface area (TPSA) of 29.5 Ų, 1-tert-Butoxy-2-methyl-3-buten-2-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-tert-Butoxy-2-methyl-3-buten-2-ol 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 1-tert-Butoxy-2-methyl-3-buten-2-ol?
The CAS number of 1-tert-Butoxy-2-methyl-3-buten-2-ol is 3605-81-0.
What is the molecular formula of 1-tert-Butoxy-2-methyl-3-buten-2-ol?
The molecular formula of 1-tert-Butoxy-2-methyl-3-buten-2-ol is C9H18O2.
What is the molecular weight of 1-tert-Butoxy-2-methyl-3-buten-2-ol?
The molecular weight of 1-tert-Butoxy-2-methyl-3-buten-2-ol is 158.13 g/mol.
Where can I buy 1-tert-Butoxy-2-methyl-3-buten-2-ol?
You can request a quote for 1-tert-Butoxy-2-methyl-3-buten-2-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-tert-Butoxy-2-methyl-3-buten-2-ol?
Yes, KEHONG BIO provides custom synthesis services for 1-tert-Butoxy-2-methyl-3-buten-2-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.