Dibutyl 3-methylpentanedioate
TL;DR: Dibutyl 3-methylpentanedioate (CAS 56051-60-6) is a chemical compound with molecular formula C14H26O4 and molecular weight 258.1831 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
dibutyl 3-methylpentanedioate
Also Known As: Dibutyl 3-methylpentanedioate, Dibutyl 3-methyphenanedioate, dibutyl3-methylpentanedioate, 3-Methylpentanedioicaciddibutylester, Dibutyl 3-methylpentanedioate #
Technical Specifications
| Molecular Formula | C14H26O4 |
| Molecular Weight | 258.1831 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 258.1831 Da |
| Heavy Atoms | 18 |
| Complexity | 214.0 |
| SMILES | CCCCOC(=O)CC(C)CC(=O)OCCCC |
| InChIKey | RTHAXUPRXCUHAL-UHFFFAOYSA-N |
Chemical Property Profile of Dibutyl 3-methylpentanedioate
Property Insights of Dibutyl 3-methylpentanedioate
The XLogP value of 3.2 indicates that Dibutyl 3-methylpentanedioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Dibutyl 3-methylpentanedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dibutyl 3-methylpentanedioate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Dibutyl 3-methylpentanedioate?
The CAS number of Dibutyl 3-methylpentanedioate is 56051-60-6.
What is the molecular formula of Dibutyl 3-methylpentanedioate?
The molecular formula of Dibutyl 3-methylpentanedioate is C14H26O4.
What is the molecular weight of Dibutyl 3-methylpentanedioate?
The molecular weight of Dibutyl 3-methylpentanedioate is 258.1831 g/mol.
Where can I buy Dibutyl 3-methylpentanedioate?
You can request a quote for Dibutyl 3-methylpentanedioate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Dibutyl 3-methylpentanedioate?
Yes, CoreyChem provides custom synthesis services for Dibutyl 3-methylpentanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.