Propanoic acid, 2,2-dimethyl-, 2-pentynyl ester
TL;DR: Propanoic acid, 2,2-dimethyl-, 2-pentynyl ester (CAS 118006-67-0) is a chemical compound with molecular formula C10H16O2 and molecular weight 168.11504 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
pent-2-ynyl 2,2-dimethylpropanoate
Also Known As: 2-Pentynyl pivalate, 2-Pentynyl pivalate #, pent-2-ynyl 2,2-dimethylpropanoate, Propanoic acid, 2,2-dimethyl-, 2-pentynyl ester, PENT-2-YN-1-YL 2,2-DIMETHYLPROPANOATE
Technical Specifications
| Molecular Formula | C10H16O2 |
| Molecular Weight | 168.11504 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 168.11504 Da |
| Heavy Atoms | 12 |
| Complexity | 209.0 |
| SMILES | CCC#CCOC(=O)C(C)(C)C |
| InChIKey | HLGTWBLWEISASB-UHFFFAOYSA-N |
Chemical Property Profile of Propanoic acid, 2,2-dimethyl-, 2-pentynyl ester
Property Insights of Propanoic acid, 2,2-dimethyl-, 2-pentynyl ester
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanoic acid, 2,2-dimethyl-, 2-pentynyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, Propanoic acid, 2,2-dimethyl-, 2-pentynyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propanoic acid, 2,2-dimethyl-, 2-pentynyl 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 Propanoic acid, 2,2-dimethyl-, 2-pentynyl ester?
The CAS number of Propanoic acid, 2,2-dimethyl-, 2-pentynyl ester is 118006-67-0.
What is the molecular formula of Propanoic acid, 2,2-dimethyl-, 2-pentynyl ester?
The molecular formula of Propanoic acid, 2,2-dimethyl-, 2-pentynyl ester is C10H16O2.
What is the molecular weight of Propanoic acid, 2,2-dimethyl-, 2-pentynyl ester?
The molecular weight of Propanoic acid, 2,2-dimethyl-, 2-pentynyl ester is 168.11504 g/mol.
Where can I buy Propanoic acid, 2,2-dimethyl-, 2-pentynyl ester?
You can request a quote for Propanoic acid, 2,2-dimethyl-, 2-pentynyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Propanoic acid, 2,2-dimethyl-, 2-pentynyl ester?
Yes, CoreyChem provides custom synthesis services for Propanoic acid, 2,2-dimethyl-, 2-pentynyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.