TL;DR: 3-(Prop-1-en-2-yl)oxolane-2,5-dione (CAS 119850-77-0) is a chemical compound with molecular formula C7H8O3 and molecular weight 140.04735 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-prop-1-en-2-yloxolane-2,5-dione
Also Known As: 2-Isopropenylsuccinic anhydride, 3-(prop-1-en-2-yl)oxolane-2,5-dione, 3-prop-1-en-2-yloxolane-2,5-dione, J3.430.929I
| Molecular Formula | C7H8O3 |
| Molecular Weight | 140.04735 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 140.04735 Da |
| Heavy Atoms | 10 |
| Complexity | 205.0 |
| SMILES | CC(=C)C1CC(=O)OC1=O |
| InChIKey | XREMLDNDAMBAOP-UHFFFAOYSA-N |
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Prop-1-en-2-yl)oxolane-2,5-dione. With a topological polar surface area (TPSA) of 43.4 Ų, 3-(Prop-1-en-2-yl)oxolane-2,5-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Prop-1-en-2-yl)oxolane-2,5-dione has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-(Prop-1-en-2-yl)oxolane-2,5-dione is 119850-77-0.
The molecular formula of 3-(Prop-1-en-2-yl)oxolane-2,5-dione is C7H8O3.
The molecular weight of 3-(Prop-1-en-2-yl)oxolane-2,5-dione is 140.04735 g/mol.
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