5-Methyl-5-phenyl-2-hexanone
TL;DR: 5-Methyl-5-phenyl-2-hexanone (CAS 14128-61-1) is a chemical compound with molecular formula C13H18O and molecular weight 190.13577 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-methyl-5-phenylhexan-2-one
Also Known As: 5-methyl-5-phenylhexan-2-one, 5-METHYL-5-PHENYL-2-HEXANONE, 2-Hexanone, 5-methyl-5-phenyl-, 5-phenyl-5-methyl-2-hexanone, 5-Methyl-5-phenyl-2-hexanone #
Technical Specifications
| Molecular Formula | C13H18O |
| Molecular Weight | 190.13577 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 190.13577 Da |
| Heavy Atoms | 14 |
| Complexity | 187.0 |
| SMILES | CC(=O)CCC(C)(C)C1=CC=CC=C1 |
| InChIKey | IFKGKEYWZPTXEY-UHFFFAOYSA-N |
Chemical Property Profile of 5-Methyl-5-phenyl-2-hexanone
Property Insights of 5-Methyl-5-phenyl-2-hexanone
The XLogP value of 3.1 indicates that 5-Methyl-5-phenyl-2-hexanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 5-Methyl-5-phenyl-2-hexanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methyl-5-phenyl-2-hexanone 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 5-Methyl-5-phenyl-2-hexanone?
The CAS number of 5-Methyl-5-phenyl-2-hexanone is 14128-61-1.
What is the molecular formula of 5-Methyl-5-phenyl-2-hexanone?
The molecular formula of 5-Methyl-5-phenyl-2-hexanone is C13H18O.
What is the molecular weight of 5-Methyl-5-phenyl-2-hexanone?
The molecular weight of 5-Methyl-5-phenyl-2-hexanone is 190.13577 g/mol.
Where can I buy 5-Methyl-5-phenyl-2-hexanone?
You can request a quote for 5-Methyl-5-phenyl-2-hexanone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Methyl-5-phenyl-2-hexanone?
Yes, CoreyChem provides custom synthesis services for 5-Methyl-5-phenyl-2-hexanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.