Dimethyl (3-oxo-2-pentylcyclopentyl)malonate
TL;DR: Dimethyl (3-oxo-2-pentylcyclopentyl)malonate (CAS 51806-23-6) is a chemical compound with molecular formula C15H24O5 and molecular weight 284.16238 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
dimethyl 2-(3-oxo-2-pentylcyclopentyl)propanedioate
Also Known As: Dimethyl malonate, Dimethyl (3-oxo-2-pentylcyclopentyl)malonate, PRO030, dimethyl 2-(3-oxo-2-pentylcyclopentyl)propanedioate, Dimethyl 2-(3-oxo-2-pentylcyclopentyl)malonate
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C15H24O5 |
| Molecular Weight | 284.16238 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 284.16238 Da |
| Heavy Atoms | 20 |
| Complexity | 347.0 |
| SMILES | CCCCCC1C(CCC1=O)C(C(=O)OC)C(=O)OC |
| InChIKey | ROZSFNKSMIZYLM-UHFFFAOYSA-N |
Chemical Property Profile of Dimethyl (3-oxo-2-pentylcyclopentyl)malonate
Property Insights of Dimethyl (3-oxo-2-pentylcyclopentyl)malonate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl (3-oxo-2-pentylcyclopentyl)malonate. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl (3-oxo-2-pentylcyclopentyl)malonate. Following Lipinski's Rule of Five, Dimethyl (3-oxo-2-pentylcyclopentyl)malonate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Dimethyl (3-oxo-2-pentylcyclopentyl)malonate?
The CAS number of Dimethyl (3-oxo-2-pentylcyclopentyl)malonate is 51806-23-6.
What is the molecular formula of Dimethyl (3-oxo-2-pentylcyclopentyl)malonate?
The molecular formula of Dimethyl (3-oxo-2-pentylcyclopentyl)malonate is C15H24O5.
What is the molecular weight of Dimethyl (3-oxo-2-pentylcyclopentyl)malonate?
The molecular weight of Dimethyl (3-oxo-2-pentylcyclopentyl)malonate is 284.16238 g/mol.
Where can I buy Dimethyl (3-oxo-2-pentylcyclopentyl)malonate?
You can request a quote for Dimethyl (3-oxo-2-pentylcyclopentyl)malonate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Dimethyl (3-oxo-2-pentylcyclopentyl)malonate?
Yes, CoreyChem provides custom synthesis services for Dimethyl (3-oxo-2-pentylcyclopentyl)malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.