2,2-Dimethyl-1-(4-methylphenyl)but-3-en-1-one
TL;DR: 2,2-Dimethyl-1-(4-methylphenyl)but-3-en-1-one (CAS 133480-23-6) is a chemical compound with molecular formula C13H16O and molecular weight 188.12012 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,2-dimethyl-1-(4-methylphenyl)but-3-en-1-one
Also Known As: 2,2-dimethyl-1-(4-methylphenyl)but-3-en-1-one, 3-Buten-1-one, 2,2-dimethyl-1-(4-methylphenyl)-, 1-(4-Methylphenyl)-2,2-dimethyl-3-buten-1-one, 2,2-Dimethyl-1-(4-methylphenyl)-3-butene-1-one, 3-Buten-1-one,2,2-dimethyl-1-(4-methylphenyl)
Technical Specifications
| Molecular Formula | C13H16O |
| Molecular Weight | 188.12012 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 188.12012 Da |
| Heavy Atoms | 14 |
| Complexity | 219.0 |
| SMILES | CC1=CC=C(C=C1)C(=O)C(C)(C)C=C |
| InChIKey | ZXZLZEYBVGIPGZ-UHFFFAOYSA-N |
Chemical Property Profile of 2,2-Dimethyl-1-(4-methylphenyl)but-3-en-1-one
Property Insights of 2,2-Dimethyl-1-(4-methylphenyl)but-3-en-1-one
The XLogP value of 3.6 indicates that 2,2-Dimethyl-1-(4-methylphenyl)but-3-en-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 2,2-Dimethyl-1-(4-methylphenyl)but-3-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Dimethyl-1-(4-methylphenyl)but-3-en-1-one 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
What is the CAS number of 2,2-Dimethyl-1-(4-methylphenyl)but-3-en-1-one?
The CAS number of 2,2-Dimethyl-1-(4-methylphenyl)but-3-en-1-one is 133480-23-6.
What is the molecular formula of 2,2-Dimethyl-1-(4-methylphenyl)but-3-en-1-one?
The molecular formula of 2,2-Dimethyl-1-(4-methylphenyl)but-3-en-1-one is C13H16O.
What is the molecular weight of 2,2-Dimethyl-1-(4-methylphenyl)but-3-en-1-one?
The molecular weight of 2,2-Dimethyl-1-(4-methylphenyl)but-3-en-1-one is 188.12012 g/mol.
Where can I buy 2,2-Dimethyl-1-(4-methylphenyl)but-3-en-1-one?
You can request a quote for 2,2-Dimethyl-1-(4-methylphenyl)but-3-en-1-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,2-Dimethyl-1-(4-methylphenyl)but-3-en-1-one?
Yes, CoreyChem provides custom synthesis services for 2,2-Dimethyl-1-(4-methylphenyl)but-3-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.