2-Cyclohexen-1-one, 4-(2-butenylidene)-3,5,5-trimethyl-
TL;DR: 2-Cyclohexen-1-one, 4-(2-butenylidene)-3,5,5-trimethyl- (CAS 13215-88-8) 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.
4-but-2-enylidene-3,5,5-trimethylcyclohex-2-en-1-one
Also Known As: Tabanone, Megastigmatrienone, Megastigmatrienone B, Megastigmatrienone C, Megastigmatrienone D
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C13H18O |
| Molecular Weight | 190.13577 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 | 190.13577 Da |
| Heavy Atoms | 14 |
| Complexity | 327.0 |
| SMILES | CC=CC=C1C(=CC(=O)CC1(C)C)C |
| InChIKey | CBQXHTWJSZXYSK-UHFFFAOYSA-N |
Chemical Property Profile of 2-Cyclohexen-1-one, 4-(2-butenylidene)-3,5,5-trimethyl-
Property Insights of 2-Cyclohexen-1-one, 4-(2-butenylidene)-3,5,5-trimethyl-
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Cyclohexen-1-one, 4-(2-butenylidene)-3,5,5-trimethyl-. With a topological polar surface area (TPSA) of 17.1 Ų, 2-Cyclohexen-1-one, 4-(2-butenylidene)-3,5,5-trimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Cyclohexen-1-one, 4-(2-butenylidene)-3,5,5-trimethyl- 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-Cyclohexen-1-one, 4-(2-butenylidene)-3,5,5-trimethyl-?
The CAS number of 2-Cyclohexen-1-one, 4-(2-butenylidene)-3,5,5-trimethyl- is 13215-88-8.
What is the molecular formula of 2-Cyclohexen-1-one, 4-(2-butenylidene)-3,5,5-trimethyl-?
The molecular formula of 2-Cyclohexen-1-one, 4-(2-butenylidene)-3,5,5-trimethyl- is C13H18O.
What is the molecular weight of 2-Cyclohexen-1-one, 4-(2-butenylidene)-3,5,5-trimethyl-?
The molecular weight of 2-Cyclohexen-1-one, 4-(2-butenylidene)-3,5,5-trimethyl- is 190.13577 g/mol.
Where can I buy 2-Cyclohexen-1-one, 4-(2-butenylidene)-3,5,5-trimethyl-?
You can request a quote for 2-Cyclohexen-1-one, 4-(2-butenylidene)-3,5,5-trimethyl- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Cyclohexen-1-one, 4-(2-butenylidene)-3,5,5-trimethyl-?
Yes, CoreyChem provides custom synthesis services for 2-Cyclohexen-1-one, 4-(2-butenylidene)-3,5,5-trimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.