Pentanoic acid, 1,1-dimethylpropyl ester
TL;DR: Pentanoic acid, 1,1-dimethylpropyl ester (CAS 117421-32-6) is a chemical compound with molecular formula C10H20O2 and molecular weight 172.14633 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methylbutan-2-yl pentanoate
Also Known As: tert-Pentyl pentanoate, tert-Pentyl pentanoate #, 2-methylbutan-2-yl pentanoate, Valeric acid tert-pentyl ester, Pentanoic acid tert-pentyl ester
Application Areas
Top 5 of 8 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H20O2 |
| Molecular Weight | 172.14633 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 172.14633 Da |
| Heavy Atoms | 12 |
| Complexity | 139.0 |
| SMILES | CCCCC(=O)OC(C)(C)CC |
| InChIKey | HESXDTDXXBSJET-UHFFFAOYSA-N |
Chemical Property Profile of Pentanoic acid, 1,1-dimethylpropyl ester
Property Insights of Pentanoic acid, 1,1-dimethylpropyl ester
The XLogP value of 3.0 indicates that Pentanoic acid, 1,1-dimethylpropyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Pentanoic acid, 1,1-dimethylpropyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentanoic acid, 1,1-dimethylpropyl ester has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Pentanoic acid, 1,1-dimethylpropyl ester?
The CAS number of Pentanoic acid, 1,1-dimethylpropyl ester is 117421-32-6.
What is the molecular formula of Pentanoic acid, 1,1-dimethylpropyl ester?
The molecular formula of Pentanoic acid, 1,1-dimethylpropyl ester is C10H20O2.
What is the molecular weight of Pentanoic acid, 1,1-dimethylpropyl ester?
The molecular weight of Pentanoic acid, 1,1-dimethylpropyl ester is 172.14633 g/mol.
Where can I buy Pentanoic acid, 1,1-dimethylpropyl ester?
You can request a quote for Pentanoic acid, 1,1-dimethylpropyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Pentanoic acid, 1,1-dimethylpropyl ester?
Yes, CoreyChem provides custom synthesis services for Pentanoic acid, 1,1-dimethylpropyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.