TL;DR: Phosphonic acid, 2-propenyl-, bis(1-methylethyl) ester (CAS 1067-70-5) is a chemical compound with molecular formula C9H19O3P and molecular weight 206.10718 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[propan-2-yloxy(prop-2-enyl)phosphoryl]oxypropane
Also Known As: DIISOPROPYLALLYLPHOSPHONATE, diisopropyl allylphosphonate, Allylphosphonic acid diisopropyl ester, 2-[propan-2-yloxy(prop-2-enyl)phosphoryl]oxypropane, 3-dipropan-2-yloxyphosphorylprop-1-ene
| Molecular Formula | C9H19O3P |
| Molecular Weight | 206.10718 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 206.10718 Da |
| Heavy Atoms | 13 |
| Complexity | 185.0 |
| SMILES | CC(C)OP(=O)(CC=C)OC(C)C |
| InChIKey | NQKZTZFZYGDJQI-UHFFFAOYSA-N |
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphonic acid, 2-propenyl-, bis(1-methylethyl) ester. With a topological polar surface area (TPSA) of 35.5 Ų, Phosphonic acid, 2-propenyl-, bis(1-methylethyl) ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphonic acid, 2-propenyl-, bis(1-methylethyl) ester 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 Phosphonic acid, 2-propenyl-, bis(1-methylethyl) ester is 1067-70-5.
The molecular formula of Phosphonic acid, 2-propenyl-, bis(1-methylethyl) ester is C9H19O3P.
The molecular weight of Phosphonic acid, 2-propenyl-, bis(1-methylethyl) ester is 206.10718 g/mol.
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