1,3-Cyclopentanedione, 2-methyl-2-(3,3,3-triethoxypropyl)-
TL;DR: 1,3-Cyclopentanedione, 2-methyl-2-(3,3,3-triethoxypropyl)- (CAS 87698-22-4) is a chemical compound with molecular formula C15H26O5 and molecular weight 286.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-2-(3,3,3-triethoxypropyl)cyclopentane-1,3-dione
Also Known As: 1,3-Cyclopentanedione, 2-methyl-2-(3,3,3-triethoxypropyl)-, 2-methyl-2-(3,3,3-triethoxypropyl)cyclopentane-1,3-dione, RefChem:218242
| Molecular Formula | C15H26O5 |
|---|---|
| Molecular Weight | 286.18 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 286.178 |
| Heavy Atoms | 20 |
| Complexity | 317.0 |
Chemical Identifiers
| CAS Number | 87698-22-4 |
|---|---|
| SMILES | CCOC(CCC1(C(=O)CCC1=O)C)(OCC)OCC |
| InChIKey | ONDMMLTUFUGCFE-UHFFFAOYSA-N |
Product Overview
1,3-Cyclopentanedione, 2-methyl-2-(3,3,3-triethoxypropyl)- (CAS 87698-22-4), with molecular formula C15H26O5 and molecular weight 286.18 g/mol. IUPAC: 2-methyl-2-(3,3,3-triethoxypropyl)cyclopentane-1,3-dione.
Chemical Property Profile of 1,3-Cyclopentanedione, 2-methyl-2-(3,3,3-triethoxypropyl)-
Property Insights of 1,3-Cyclopentanedione, 2-methyl-2-(3,3,3-triethoxypropyl)-
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Cyclopentanedione, 2-methyl-2-(3,3,3-triethoxypropyl)-. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Cyclopentanedione, 2-methyl-2-(3,3,3-triethoxypropyl)-. Following Lipinski's Rule of Five, 1,3-Cyclopentanedione, 2-methyl-2-(3,3,3-triethoxypropyl)- 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
Frequently Asked Questions
What is the CAS number of 1,3-Cyclopentanedione, 2-methyl-2-(3,3,3-triethoxypropyl)-?
The CAS number of 1,3-Cyclopentanedione, 2-methyl-2-(3,3,3-triethoxypropyl)- is 87698-22-4.
What is the molecular formula of 1,3-Cyclopentanedione, 2-methyl-2-(3,3,3-triethoxypropyl)-?
The molecular formula of 1,3-Cyclopentanedione, 2-methyl-2-(3,3,3-triethoxypropyl)- is C15H26O5.
What is the molecular weight of 1,3-Cyclopentanedione, 2-methyl-2-(3,3,3-triethoxypropyl)-?
The molecular weight of 1,3-Cyclopentanedione, 2-methyl-2-(3,3,3-triethoxypropyl)- is 286.18 g/mol.
Where can I buy 1,3-Cyclopentanedione, 2-methyl-2-(3,3,3-triethoxypropyl)-?
You can request a quote for 1,3-Cyclopentanedione, 2-methyl-2-(3,3,3-triethoxypropyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Cyclopentanedione, 2-methyl-2-(3,3,3-triethoxypropyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Cyclopentanedione, 2-methyl-2-(3,3,3-triethoxypropyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.