Benzonitrile, 4-(allyloxy)-3,5-diethyl-
TL;DR: Benzonitrile, 4-(allyloxy)-3,5-diethyl- (CAS 100717-40-6) is a chemical compound with molecular formula C14H17NO and molecular weight 215.13101 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,5-diethyl-4-prop-2-enoxybenzonitrile
Also Known As: 4-Octylaniline, NIOSH/DI2452700, 3,5-Diaethyl-4-allyloxy-benzonitril, 4-Allyloxy-3,5-diethyl-benzonitrile, 4-(Allyloxy)-3,5-diethylbenzonitrile
Technical Specifications
| Molecular Formula | C14H17NO |
| Molecular Weight | 215.13101 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 33.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 215.13101 Da |
| Heavy Atoms | 16 |
| Complexity | 251.0 |
| SMILES | CCC1=CC(=CC(=C1OCC=C)CC)C#N |
| InChIKey | XAFAJUYBMKJLRL-UHFFFAOYSA-N |
Chemical Property Profile of Benzonitrile, 4-(allyloxy)-3,5-diethyl-
Property Insights of Benzonitrile, 4-(allyloxy)-3,5-diethyl-
The XLogP value of 3.8 indicates that Benzonitrile, 4-(allyloxy)-3,5-diethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.0 Ų, Benzonitrile, 4-(allyloxy)-3,5-diethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzonitrile, 4-(allyloxy)-3,5-diethyl- 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 Benzonitrile, 4-(allyloxy)-3,5-diethyl-?
The CAS number of Benzonitrile, 4-(allyloxy)-3,5-diethyl- is 100717-40-6.
What is the molecular formula of Benzonitrile, 4-(allyloxy)-3,5-diethyl-?
The molecular formula of Benzonitrile, 4-(allyloxy)-3,5-diethyl- is C14H17NO.
What is the molecular weight of Benzonitrile, 4-(allyloxy)-3,5-diethyl-?
The molecular weight of Benzonitrile, 4-(allyloxy)-3,5-diethyl- is 215.13101 g/mol.
Where can I buy Benzonitrile, 4-(allyloxy)-3,5-diethyl-?
You can request a quote for Benzonitrile, 4-(allyloxy)-3,5-diethyl- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzonitrile, 4-(allyloxy)-3,5-diethyl-?
Yes, CoreyChem provides custom synthesis services for Benzonitrile, 4-(allyloxy)-3,5-diethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.