TL;DR: Cyclopropanecarboxylic acid, 3-(1,2-dihydroxy-2-methylpropyl)-2,2-dimethyl-, methyl ester, (1R-(1alpha,3beta(R*)))- (CAS 131484-60-1) is a chemical compound with molecular formula C11H20O4 and molecular weight 216.13615 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
cis-methyl (1R,3S)-3-[(1R)-1,2-dihydroxy-2-methylpropyl]-2,2-dimethylcyclopropane-1-carboxylate
Also Known As: Cyclopropanecarboxylic acid, 3-(1,2-dihydroxy-2-methylpropyl)-2,2-dimethyl-, methyl ester, (1R-(1alpha,3beta(R*)))-, methyl (1R,3S)-3-[(1R)-1,2-dihydroxy-2-methylpropyl]-2,2-dimethylcyclopropane-1-carboxylate, Methyl (1R,3S)-3-(1,2-dihydroxy-2-methyl-propyl)-2,2-dimethyl-cyclopropane-1-carboxylate, Methyl 3-(1,2-dihydroxy-2-methylpropyl)-2,2-dimethylcyclopropane-1-carboxylate, Cyclopropanecarboxylic acid, 3-(1,2-dihydroxy-2-methylpropyl)-2,2-dimethyl-, methyl ester, (1R-(1a,3b(R*)))-
| Molecular Formula | C11H20O4 |
| Molecular Weight | 216.13615 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 216.13615 Da |
| Heavy Atoms | 15 |
| Complexity | 270.0 |
| SMILES | CC1([C@H]([C@H]1C(=O)OC)[C@H](C(C)(C)O)O)C |
| InChIKey | VLKYIFSEDDBFBR-GJMOJQLCSA-N |
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclopropanecarboxylic acid, 3-(1,2-dihydroxy-2-methylpropyl)-2,2-dimethyl-, methyl ester, (1R-(1alpha,3beta(R*)))-. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Cyclopropanecarboxylic acid, 3-(1,2-dihydroxy-2-methylpropyl)-2,2-dimethyl-, methyl ester, (1R-(1alpha,3beta(R*)))-. Following Lipinski's Rule of Five, Cyclopropanecarboxylic acid, 3-(1,2-dihydroxy-2-methylpropyl)-2,2-dimethyl-, methyl ester, (1R-(1alpha,3beta(R*)))- has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Cyclopropanecarboxylic acid, 3-(1,2-dihydroxy-2-methylpropyl)-2,2-dimethyl-, methyl ester, (1R-(1alpha,3beta(R*)))- is 131484-60-1.
The molecular formula of Cyclopropanecarboxylic acid, 3-(1,2-dihydroxy-2-methylpropyl)-2,2-dimethyl-, methyl ester, (1R-(1alpha,3beta(R*)))- is C11H20O4.
The molecular weight of Cyclopropanecarboxylic acid, 3-(1,2-dihydroxy-2-methylpropyl)-2,2-dimethyl-, methyl ester, (1R-(1alpha,3beta(R*)))- is 216.13615 g/mol.
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