Cyclohexen-1-yltoluene
TL;DR: Cyclohexen-1-yltoluene (CAS 22618-51-5) is a chemical compound with molecular formula C13H16 and molecular weight 172.1252 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(cyclohexen-1-yl)-2-methylbenzene
Also Known As: Cyclohexen-1-yltoluene, 1-o-Tolyl-cyclohexen, 1-(cyclohexen-1-yl)-2-methylbenzene, 1-(cyclohex-1-en-1-yl)-2-methylbenzene, 2-(1-Cyclohexenyl)toluene
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C13H16 |
| Molecular Weight | 172.1252 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 172.1252 Da |
| Heavy Atoms | 13 |
| Complexity | 190.0 |
| SMILES | CC1=CC=CC=C1C2=CCCCC2 |
| InChIKey | CVNBWDMYHUGFDG-UHFFFAOYSA-N |
Chemical Property Profile of Cyclohexen-1-yltoluene
Property Insights of Cyclohexen-1-yltoluene
The XLogP value of 4.9 indicates that Cyclohexen-1-yltoluene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Cyclohexen-1-yltoluene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclohexen-1-yltoluene has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Cyclohexen-1-yltoluene?
The CAS number of Cyclohexen-1-yltoluene is 22618-51-5.
What is the molecular formula of Cyclohexen-1-yltoluene?
The molecular formula of Cyclohexen-1-yltoluene is C13H16.
What is the molecular weight of Cyclohexen-1-yltoluene?
The molecular weight of Cyclohexen-1-yltoluene is 172.1252 g/mol.
Where can I buy Cyclohexen-1-yltoluene?
You can request a quote for Cyclohexen-1-yltoluene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Cyclohexen-1-yltoluene?
Yes, CoreyChem provides custom synthesis services for Cyclohexen-1-yltoluene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.