TL;DR: Methyldicyclopropylglycolate (CAS 100144-93-2) is a chemical compound with molecular formula C9H14O3 and molecular weight 170.0943 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2,2-dicyclopropyl-2-hydroxyacetate
Also Known As: Methyldicyclopropylglycolate, Dicyclopropyl(methoxy)acetate, 2,2-dicyclopropyl-2-methoxyacetate, methyl 2,2-dicyclopropyl-2-hydroxyacetate, Glycolic acid, dicyclopropyl-, methyl ester
| Molecular Formula | C9H14O3 |
| Molecular Weight | 170.0943 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 170.0943 Da |
| Heavy Atoms | 12 |
| Complexity | 192.0 |
| SMILES | COC(=O)C(C1CC1)(C2CC2)O |
| InChIKey | OGSXJBSVCOSDQU-UHFFFAOYSA-N |
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyldicyclopropylglycolate. With a topological polar surface area (TPSA) of 46.5 Ų, Methyldicyclopropylglycolate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyldicyclopropylglycolate 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 Methyldicyclopropylglycolate is 100144-93-2.
The molecular formula of Methyldicyclopropylglycolate is C9H14O3.
The molecular weight of Methyldicyclopropylglycolate is 170.0943 g/mol.
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