Benzene, hexaethynyl-
TL;DR: Benzene, hexaethynyl- (CAS 1236105-75-1) is a chemical compound with molecular formula C18H6 and molecular weight 222.04695 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,2,3,4,5,6-hexaethynylbenzene
Also Known As: benzene, hexaethynyl-, hexaethynylbenzene, 1,2,3,4,5,6-hexaethynylbenzene, Hexaethinbenzol, Hexakisethynylbenzene
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C18H6 |
| Molecular Weight | 222.04695 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 6 |
| Exact Mass | 222.04695 Da |
| Heavy Atoms | 18 |
| Complexity | 465.0 |
| SMILES | C#CC1=C(C(=C(C(=C1C#C)C#C)C#C)C#C)C#C |
| InChIKey | VXFRCHRNRILBMZ-UHFFFAOYSA-N |
Chemical Property Profile of Benzene, hexaethynyl-
Property Insights of Benzene, hexaethynyl-
The XLogP value of 3.4 indicates that Benzene, hexaethynyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Benzene, hexaethynyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, hexaethynyl- 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 Benzene, hexaethynyl-?
The CAS number of Benzene, hexaethynyl- is 1236105-75-1.
What is the molecular formula of Benzene, hexaethynyl-?
The molecular formula of Benzene, hexaethynyl- is C18H6.
What is the molecular weight of Benzene, hexaethynyl-?
The molecular weight of Benzene, hexaethynyl- is 222.04695 g/mol.
Where can I buy Benzene, hexaethynyl-?
You can request a quote for Benzene, hexaethynyl- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzene, hexaethynyl-?
Yes, CoreyChem provides custom synthesis services for Benzene, hexaethynyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.