3,4-Dimethylcyclopent-2-en-1-one
TL;DR: 3,4-Dimethylcyclopent-2-en-1-one (CAS 30434-64-1) is a chemical compound with molecular formula C7H10O and molecular weight 110.073166 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,4-dimethylcyclopent-2-en-1-one
Also Known As: 3,4-Dimethylcyclopent-2-enone, 3,4-Dimethylcyclopent-2-en-1-one, 2-Cyclopenten-1-one, 3,4-dimethyl-, Dimethyl-2-cyclopentenone-1, 3,4-Dimethyl-2-cyclopenten-1-one
Application Areas
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H10O |
| Molecular Weight | 110.073166 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 110.073166 Da |
| Heavy Atoms | 8 |
| Complexity | 144.0 |
| SMILES | CC1CC(=O)C=C1C |
| InChIKey | XSOSLVVAKBKYRV-UHFFFAOYSA-N |
Chemical Property Profile of 3,4-Dimethylcyclopent-2-en-1-one
Property Insights of 3,4-Dimethylcyclopent-2-en-1-one
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Dimethylcyclopent-2-en-1-one. With a topological polar surface area (TPSA) of 17.1 Ų, 3,4-Dimethylcyclopent-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Dimethylcyclopent-2-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 3,4-Dimethylcyclopent-2-en-1-one?
The CAS number of 3,4-Dimethylcyclopent-2-en-1-one is 30434-64-1.
What is the molecular formula of 3,4-Dimethylcyclopent-2-en-1-one?
The molecular formula of 3,4-Dimethylcyclopent-2-en-1-one is C7H10O.
What is the molecular weight of 3,4-Dimethylcyclopent-2-en-1-one?
The molecular weight of 3,4-Dimethylcyclopent-2-en-1-one is 110.073166 g/mol.
Where can I buy 3,4-Dimethylcyclopent-2-en-1-one?
You can request a quote for 3,4-Dimethylcyclopent-2-en-1-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,4-Dimethylcyclopent-2-en-1-one?
Yes, CoreyChem provides custom synthesis services for 3,4-Dimethylcyclopent-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.