TL;DR: 1,1-Dimethoxynon-2-yne (CAS 13257-44-8) is a chemical compound with molecular formula C11H20O2 and molecular weight 184.14633 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,1-dimethoxynon-2-yne
Also Known As: Parmavert, 1,1-Dimethoxynon-2-yne, 2-nonynal dimethyl acetal, 2-Nonynal dimethylacetal, 2-Nonyne, 1,1-dimethoxy-
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C11H20O2 |
| Molecular Weight | 184.14633 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 184.14633 Da |
| Heavy Atoms | 13 |
| Complexity | 159.0 |
| SMILES | CCCCCCC#CC(OC)OC |
| InChIKey | RPJGIPAAHSGBEZ-UHFFFAOYSA-N |
The XLogP value of 3.3 indicates that 1,1-Dimethoxynon-2-yne is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.5 Ų, 1,1-Dimethoxynon-2-yne exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1-Dimethoxynon-2-yne has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1,1-Dimethoxynon-2-yne is 13257-44-8.
The molecular formula of 1,1-Dimethoxynon-2-yne is C11H20O2.
The molecular weight of 1,1-Dimethoxynon-2-yne is 184.14633 g/mol.
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