Vinylcyclohexene
TL;DR: Vinylcyclohexene (CAS 2622-21-1) is a chemical compound with molecular formula C8H12 and molecular weight 108.0939 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-ethenylcyclohexene
Also Known As: Vinylcyclohexene, 1-Vinylcyclohexene, 1-ETHENYLCYCLOHEXENE, 1-Vinyl-1-cyclohexene, Cyclohexene, 1-ethenyl-
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H12 |
| Molecular Weight | 108.0939 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 108.0939 Da |
| Heavy Atoms | 8 |
| Complexity | 109.0 |
| Melting Point | -150 °F (NTP, 1992) |
| Boiling Point | 259 to 261 °F at 760 mmHg (NTP, 1992) |
| Density | 0.8303 at 68 °F (USCG, 1999) - Less dense than water; will float |
| Flash Point | 60 °F (NTP, 1992) |
| Vapor Pressure | 15 mmHg at 77 °F ; 25.8 mmHg at 100 °F (NTP, 1992) |
| Refractive Index | MAXIMUM ABSORPTION (ALCOHOL): 230 NM (LOG E= 4.32); INDEX OF REFRACTION 1.4915 @ 20 °C/D |
| Solubility | 1 to 10 mg/mL at 67.1 °F (NTP, 1992) |
| SMILES | C=CC1=CCCCC1 |
| InChIKey | SDRZFSPCVYEJTP-UHFFFAOYSA-N |
Chemical Property Profile of Vinylcyclohexene
Property Insights of Vinylcyclohexene
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Vinylcyclohexene. With a topological polar surface area (TPSA) of 0.0 Ų, Vinylcyclohexene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Vinylcyclohexene 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 Vinylcyclohexene?
The CAS number of Vinylcyclohexene is 2622-21-1.
What is the molecular formula of Vinylcyclohexene?
The molecular formula of Vinylcyclohexene is C8H12.
What is the molecular weight of Vinylcyclohexene?
The molecular weight of Vinylcyclohexene is 108.0939 g/mol.
Where can I buy Vinylcyclohexene?
You can request a quote for Vinylcyclohexene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Vinylcyclohexene?
Yes, CoreyChem provides custom synthesis services for Vinylcyclohexene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.