TL;DR: 1-Tridecyne (CAS 26186-02-7) is a chemical compound with molecular formula C13H24 and molecular weight 180.1878 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tridec-1-yne
Also Known As: 1-Tridecyne, tridec-1-yne, tridecyne, Undecylacetylene, Hendecylacetylene
Top 5 of 8 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C13H24 |
| Molecular Weight | 180.1878 g/mol |
| XLogP | 6.2 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 9 |
| Exact Mass | 180.1878 Da |
| Heavy Atoms | 13 |
| Complexity | 126.0 |
| SMILES | CCCCCCCCCCCC#C |
| InChIKey | GZEDKDBFUBPZNG-UHFFFAOYSA-N |
The XLogP value of 6.2 indicates that 1-Tridecyne is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1-Tridecyne exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Tridecyne has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1-Tridecyne is 26186-02-7.
The molecular formula of 1-Tridecyne is C13H24.
The molecular weight of 1-Tridecyne is 180.1878 g/mol.
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