TL;DR: 1-(2,2,3-Trimethylcyclopent-3-en-1-yl)ethanone (CAS 919077-74-0) is a chemical compound with molecular formula C10H16O and molecular weight 152.12012 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2,2,3-trimethylcyclopent-3-en-1-yl)ethanone
Also Known As: Campholenic aldehyde, Campholenal, alpha-, Campholenaldehyde, alpha-, alpha-Campholenic aldehyde, FEMA No. 3592
| Molecular Formula | C10H16O |
| Molecular Weight | 152.12012 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 152.12012 Da |
| Heavy Atoms | 11 |
| Complexity | 211.0 |
| SMILES | CC1=CCC(C1(C)C)C(=O)C |
| InChIKey | YXGUBJPWGFKWQA-UHFFFAOYSA-N |
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2,2,3-Trimethylcyclopent-3-en-1-yl)ethanone. With a topological polar surface area (TPSA) of 17.1 Ų, 1-(2,2,3-Trimethylcyclopent-3-en-1-yl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2,2,3-Trimethylcyclopent-3-en-1-yl)ethanone has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-(2,2,3-Trimethylcyclopent-3-en-1-yl)ethanone is 919077-74-0.
The molecular formula of 1-(2,2,3-Trimethylcyclopent-3-en-1-yl)ethanone is C10H16O.
The molecular weight of 1-(2,2,3-Trimethylcyclopent-3-en-1-yl)ethanone is 152.12012 g/mol.
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