1-Cyclohexylprop-2-yn-1-yl benzoate
TL;DR: 1-Cyclohexylprop-2-yn-1-yl benzoate (CAS 100311-32-8) is a chemical compound with molecular formula C16H18O2 and molecular weight 242.13068 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-cyclohexylprop-2-ynyl benzoate
Also Known As: 1-cyclohexylprop-2-ynyl benzoate, Cyclohexanemethanol, alpha-ethynyl-, benzoate, 1-CYCLOHEXYLPROP-2-YN-1-YL BENZOATE, 1-Cyclohexyl-2-propyne-1-yl=benzoate, Cyclohexanemethanol, a-ethynyl-, 1-benzoate
Technical Specifications
| Molecular Formula | C16H18O2 |
| Molecular Weight | 242.13068 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 242.13068 Da |
| Heavy Atoms | 18 |
| Complexity | 313.0 |
| SMILES | C#CC(C1CCCCC1)OC(=O)C2=CC=CC=C2 |
| InChIKey | GYYQUBPJPUOQKZ-UHFFFAOYSA-N |
Chemical Property Profile of 1-Cyclohexylprop-2-yn-1-yl benzoate
Property Insights of 1-Cyclohexylprop-2-yn-1-yl benzoate
The XLogP value of 4.3 indicates that 1-Cyclohexylprop-2-yn-1-yl benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 1-Cyclohexylprop-2-yn-1-yl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Cyclohexylprop-2-yn-1-yl benzoate 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 1-Cyclohexylprop-2-yn-1-yl benzoate?
The CAS number of 1-Cyclohexylprop-2-yn-1-yl benzoate is 100311-32-8.
What is the molecular formula of 1-Cyclohexylprop-2-yn-1-yl benzoate?
The molecular formula of 1-Cyclohexylprop-2-yn-1-yl benzoate is C16H18O2.
What is the molecular weight of 1-Cyclohexylprop-2-yn-1-yl benzoate?
The molecular weight of 1-Cyclohexylprop-2-yn-1-yl benzoate is 242.13068 g/mol.
Where can I buy 1-Cyclohexylprop-2-yn-1-yl benzoate?
You can request a quote for 1-Cyclohexylprop-2-yn-1-yl benzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Cyclohexylprop-2-yn-1-yl benzoate?
Yes, CoreyChem provides custom synthesis services for 1-Cyclohexylprop-2-yn-1-yl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.