TL;DR: Nonanoic acid, ester with allyl lactate (CAS 63906-98-9) is a chemical compound with molecular formula C15H26O4 and molecular weight 270.1831 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-prop-2-enoxypropanoyl nonanoate
Also Known As: 2-prop-2-enoxypropanoyl nonanoate, NONANOIC ACID, ESTER with ALLYL LACTATE, 2-O-Nonanoyllactic acid allyl ester, Pelargonic acid, ester with allyl lactate, Nonanoic acid ester with allyl lactate
| Molecular Formula | C15H26O4 |
| Molecular Weight | 270.1831 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 13 |
| Exact Mass | 270.1831 Da |
| Heavy Atoms | 19 |
| Complexity | 273.0 |
| SMILES | CCCCCCCCC(=O)OC(=O)C(C)OCC=C |
| InChIKey | SJNNFQVMAYYPQE-UHFFFAOYSA-N |
The XLogP value of 4.4 indicates that Nonanoic acid, ester with allyl lactate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Nonanoic acid, ester with allyl lactate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Nonanoic acid, ester with allyl lactate has 0 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 Nonanoic acid, ester with allyl lactate is 63906-98-9.
The molecular formula of Nonanoic acid, ester with allyl lactate is C15H26O4.
The molecular weight of Nonanoic acid, ester with allyl lactate is 270.1831 g/mol.
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