TL;DR: 2(3H)-Furanone, dihydro-5-(hydroxymethyl)-3,3-dimethyl- (CAS 140136-47-6) is a chemical compound with molecular formula C7H12O3 and molecular weight 144.07864 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(hydroxymethyl)-3,3-dimethyloxolan-2-one
Also Known As: 5-(hydroxymethyl)-3,3-dimethyloxolan-2-one, 2(3H)-Furanone, dihydro-5-(hydroxymethyl)-3,3-dimethyl-, 3,3-Dimethyl-5-(hydroxymethyl)oxolane-2-one, 3,3-Dimethyl-5-hydroxymethyldihydrofuran-2(3H)-one, 5-(Hydroxymethyl)-3,3-dimethyldihydro-2(3H)-furanone
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C7H12O3 |
| Molecular Weight | 144.07864 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 144.07864 Da |
| Heavy Atoms | 10 |
| Complexity | 151.0 |
| SMILES | CC1(CC(OC1=O)CO)C |
| InChIKey | GOEPRFZWZPCJIN-UHFFFAOYSA-N |
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2(3H)-Furanone, dihydro-5-(hydroxymethyl)-3,3-dimethyl-. With a topological polar surface area (TPSA) of 46.5 Ų, 2(3H)-Furanone, dihydro-5-(hydroxymethyl)-3,3-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2(3H)-Furanone, dihydro-5-(hydroxymethyl)-3,3-dimethyl- has 1 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 2(3H)-Furanone, dihydro-5-(hydroxymethyl)-3,3-dimethyl- is 140136-47-6.
The molecular formula of 2(3H)-Furanone, dihydro-5-(hydroxymethyl)-3,3-dimethyl- is C7H12O3.
The molecular weight of 2(3H)-Furanone, dihydro-5-(hydroxymethyl)-3,3-dimethyl- is 144.07864 g/mol.
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