Ether, 3-methyl-2-butenyl o-tolyl
TL;DR: Ether, 3-methyl-2-butenyl o-tolyl (CAS 23446-47-1) is a chemical compound with molecular formula C12H16O and molecular weight 176.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-2-(3-methylbut-2-enoxy)benzene
Also Known As: Ether, 3-methyl-2-butenyl o-tolyl, Benzene, 1-methyl-2-[(3-methyl-2-butenyl)oxy]-, 1-methyl-2-(3-methylbut-2-enoxy)benzene, 1-Methyl-2-((3-methylbut-2-en-1-yl)oxy)benzene, Toluene, 2-(3-methyl-2-butenyl)oxy-
| Molecular Formula | C12H16O |
|---|---|
| Molecular Weight | 176.12 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 176.12012 |
| Heavy Atoms | 13 |
| Complexity | 168.0 |
Chemical Identifiers
| CAS Number | 23446-47-1 |
|---|---|
| SMILES | CC1=CC=CC=C1OCC=C(C)C |
| InChIKey | XZNQFWQFZLMSIY-UHFFFAOYSA-N |
Product Overview
Ether, 3-methyl-2-butenyl o-tolyl (CAS 23446-47-1), with molecular formula C12H16O and molecular weight 176.12 g/mol. IUPAC: 1-methyl-2-(3-methylbut-2-enoxy)benzene.
Chemical Property Profile of Ether, 3-methyl-2-butenyl o-tolyl
Property Insights of Ether, 3-methyl-2-butenyl o-tolyl
The XLogP value of 3.9 indicates that Ether, 3-methyl-2-butenyl o-tolyl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, Ether, 3-methyl-2-butenyl o-tolyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ether, 3-methyl-2-butenyl o-tolyl has 0 hydrogen bond donor(s) and 1 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 Ether, 3-methyl-2-butenyl o-tolyl?
The CAS number of Ether, 3-methyl-2-butenyl o-tolyl is 23446-47-1.
What is the molecular formula of Ether, 3-methyl-2-butenyl o-tolyl?
The molecular formula of Ether, 3-methyl-2-butenyl o-tolyl is C12H16O.
What is the molecular weight of Ether, 3-methyl-2-butenyl o-tolyl?
The molecular weight of Ether, 3-methyl-2-butenyl o-tolyl is 176.12 g/mol.
Where can I buy Ether, 3-methyl-2-butenyl o-tolyl?
You can request a quote for Ether, 3-methyl-2-butenyl o-tolyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ether, 3-methyl-2-butenyl o-tolyl?
Yes, KEHONG BIO provides custom synthesis services for Ether, 3-methyl-2-butenyl o-tolyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.