2-Methyl-4-propan-2-ylcyclohepta-2,4,6-trien-1-one
TL;DR: 2-Methyl-4-propan-2-ylcyclohepta-2,4,6-trien-1-one (CAS 143768-61-0) is a chemical compound with molecular formula C11H14O and molecular weight 162.10446 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methyl-4-propan-2-ylcyclohepta-2,4,6-trien-1-one
Also Known As: 2-Methyl-4-propan-2-ylcyclohepta-2,4,6-trien-1-one, 2,4,6-Cycloheptatrien-1-one,2-methyl-4-(1-methylethyl)-(9CI), 2-methyl-4-propan-2-yl-cyclohepta-2,4,6-trien-1-one, 2,4,6-Cycloheptatrien-1-one, 2-methyl-4-(1-methylethyl)-, 2,4,6-Cycloheptatrien-1-one, 2-methyl-4-(1-methylethyl)- (9CI)
Technical Specifications
| Molecular Formula | C11H14O |
| Molecular Weight | 162.10446 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 162.10446 Da |
| Heavy Atoms | 12 |
| Complexity | 277.0 |
| SMILES | CC1=CC(=CC=CC1=O)C(C)C |
| InChIKey | ZJNKLCZTEWTMIP-UHFFFAOYSA-N |
Chemical Property Profile of 2-Methyl-4-propan-2-ylcyclohepta-2,4,6-trien-1-one
Property Insights of 2-Methyl-4-propan-2-ylcyclohepta-2,4,6-trien-1-one
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-4-propan-2-ylcyclohepta-2,4,6-trien-1-one. With a topological polar surface area (TPSA) of 17.1 Ų, 2-Methyl-4-propan-2-ylcyclohepta-2,4,6-trien-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-4-propan-2-ylcyclohepta-2,4,6-trien-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-Methyl-4-propan-2-ylcyclohepta-2,4,6-trien-1-one?
The CAS number of 2-Methyl-4-propan-2-ylcyclohepta-2,4,6-trien-1-one is 143768-61-0.
What is the molecular formula of 2-Methyl-4-propan-2-ylcyclohepta-2,4,6-trien-1-one?
The molecular formula of 2-Methyl-4-propan-2-ylcyclohepta-2,4,6-trien-1-one is C11H14O.
What is the molecular weight of 2-Methyl-4-propan-2-ylcyclohepta-2,4,6-trien-1-one?
The molecular weight of 2-Methyl-4-propan-2-ylcyclohepta-2,4,6-trien-1-one is 162.10446 g/mol.
Where can I buy 2-Methyl-4-propan-2-ylcyclohepta-2,4,6-trien-1-one?
You can request a quote for 2-Methyl-4-propan-2-ylcyclohepta-2,4,6-trien-1-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Methyl-4-propan-2-ylcyclohepta-2,4,6-trien-1-one?
Yes, CoreyChem provides custom synthesis services for 2-Methyl-4-propan-2-ylcyclohepta-2,4,6-trien-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.