(3-Methyl-3-prop-2-enoxybut-1-ynyl)benzene
TL;DR: (3-Methyl-3-prop-2-enoxybut-1-ynyl)benzene (CAS 218966-35-9) is a chemical compound with molecular formula C14H16O and molecular weight 200.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-methyl-3-prop-2-enoxybut-1-ynyl)benzene
Also Known As: (3-methyl-3-prop-2-enoxybut-1-ynyl)benzene, J1.087.762H, Allyl(1,1-dimethyl-3-phenyl-2-propynyl) ether, (Allyl)(1,1-dimethyl-3-phenyl-2-propynyl) ether, [3-methyl-3-(prop-2-en-1-yloxy)but-1-yn-1-yl]benzene
| Molecular Formula | C14H16O |
|---|---|
| Molecular Weight | 200.12 g/mol |
| LogP | 3.0193 |
| Topological Polar Surface Area | 9.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 200.12012 |
| Heavy Atoms | 15 |
| Complexity | 365.32034 |
Chemical Identifiers
| CAS Number | 218966-35-9 |
|---|---|
| SMILES | CC(C)(C#CC1=CC=CC=C1)OCC=C |
Product Overview
(3-Methyl-3-prop-2-enoxybut-1-ynyl)benzene (CAS 218966-35-9), with molecular formula C14H16O and molecular weight 200.12 g/mol. IUPAC: (3-methyl-3-prop-2-enoxybut-1-ynyl)benzene.
Chemical Property Profile of (3-Methyl-3-prop-2-enoxybut-1-ynyl)benzene
Property Insights of (3-Methyl-3-prop-2-enoxybut-1-ynyl)benzene
The XLogP value of 3.0193 indicates that (3-Methyl-3-prop-2-enoxybut-1-ynyl)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.23 Ų, (3-Methyl-3-prop-2-enoxybut-1-ynyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3-Methyl-3-prop-2-enoxybut-1-ynyl)benzene 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 (3-Methyl-3-prop-2-enoxybut-1-ynyl)benzene?
The CAS number of (3-Methyl-3-prop-2-enoxybut-1-ynyl)benzene is 218966-35-9.
What is the molecular formula of (3-Methyl-3-prop-2-enoxybut-1-ynyl)benzene?
The molecular formula of (3-Methyl-3-prop-2-enoxybut-1-ynyl)benzene is C14H16O.
What is the molecular weight of (3-Methyl-3-prop-2-enoxybut-1-ynyl)benzene?
The molecular weight of (3-Methyl-3-prop-2-enoxybut-1-ynyl)benzene is 200.12 g/mol.
Where can I buy (3-Methyl-3-prop-2-enoxybut-1-ynyl)benzene?
You can request a quote for (3-Methyl-3-prop-2-enoxybut-1-ynyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-Methyl-3-prop-2-enoxybut-1-ynyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for (3-Methyl-3-prop-2-enoxybut-1-ynyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.