4-(1-Hydroperoxy-2,2-dimethyl-6-methylene-cyclohexyl)-pent-3-en-2-one
TL;DR: 4-(1-Hydroperoxy-2,2-dimethyl-6-methylene-cyclohexyl)-pent-3-en-2-one (CAS 125284-20-0) is a chemical compound with molecular formula C14H22O3 and molecular weight 238.15689 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(1-hydroperoxy-2,2-dimethyl-6-methylidenecyclohexyl)pent-3-en-2-one
Also Known As: 4-(1-Hydroperoxy-2,2-dimethyl-6-methylene-cyclohexyl)-pent-3-en-2-one, 4-(1-hydroperoxy-2,2-dimethyl-6-methylidenecyclohexyl)pent-3-en-2-one
Technical Specifications
| Molecular Formula | C14H22O3 |
| Molecular Weight | 238.15689 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 238.15689 Da |
| Heavy Atoms | 17 |
| Complexity | 366.0 |
| SMILES | CC(=CC(=O)C)C1(C(=C)CCCC1(C)C)OO |
| InChIKey | ABKYIBLLJAHNQO-UHFFFAOYSA-N |
Chemical Property Profile of 4-(1-Hydroperoxy-2,2-dimethyl-6-methylene-cyclohexyl)-pent-3-en-2-one
Property Insights of 4-(1-Hydroperoxy-2,2-dimethyl-6-methylene-cyclohexyl)-pent-3-en-2-one
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(1-Hydroperoxy-2,2-dimethyl-6-methylene-cyclohexyl)-pent-3-en-2-one. With a topological polar surface area (TPSA) of 46.5 Ų, 4-(1-Hydroperoxy-2,2-dimethyl-6-methylene-cyclohexyl)-pent-3-en-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(1-Hydroperoxy-2,2-dimethyl-6-methylene-cyclohexyl)-pent-3-en-2-one has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-(1-Hydroperoxy-2,2-dimethyl-6-methylene-cyclohexyl)-pent-3-en-2-one?
The CAS number of 4-(1-Hydroperoxy-2,2-dimethyl-6-methylene-cyclohexyl)-pent-3-en-2-one is 125284-20-0.
What is the molecular formula of 4-(1-Hydroperoxy-2,2-dimethyl-6-methylene-cyclohexyl)-pent-3-en-2-one?
The molecular formula of 4-(1-Hydroperoxy-2,2-dimethyl-6-methylene-cyclohexyl)-pent-3-en-2-one is C14H22O3.
What is the molecular weight of 4-(1-Hydroperoxy-2,2-dimethyl-6-methylene-cyclohexyl)-pent-3-en-2-one?
The molecular weight of 4-(1-Hydroperoxy-2,2-dimethyl-6-methylene-cyclohexyl)-pent-3-en-2-one is 238.15689 g/mol.
Where can I buy 4-(1-Hydroperoxy-2,2-dimethyl-6-methylene-cyclohexyl)-pent-3-en-2-one?
You can request a quote for 4-(1-Hydroperoxy-2,2-dimethyl-6-methylene-cyclohexyl)-pent-3-en-2-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(1-Hydroperoxy-2,2-dimethyl-6-methylene-cyclohexyl)-pent-3-en-2-one?
Yes, CoreyChem provides custom synthesis services for 4-(1-Hydroperoxy-2,2-dimethyl-6-methylene-cyclohexyl)-pent-3-en-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.