TL;DR: 4-[12-(3-hexadec-3-enyloxiran-2-yl)dodecyl]-2-methyl-2H-furan-5-one (CAS 151484-64-9) is a chemical compound with molecular formula C35H62O3 and molecular weight 530.4699 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[12-(3-hexadec-3-enyloxiran-2-yl)dodecyl]-2-methyl-2H-furan-5-one
Also Known As: 4-[12-(3-hexadec-3-enyloxiran-2-yl)dodecyl]-2-methyl-2H-furan-5-one
| Molecular Formula | C35H62O3 |
| Molecular Weight | 530.4699 g/mol |
| XLogP | 13.8 |
| Topological Polar Surface Area (TPSA) | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 27 |
| Exact Mass | 530.4699 Da |
| Heavy Atoms | 38 |
| Complexity | 637.0 |
| SMILES | CCCCCCCCCCCCC=CCCC1C(O1)CCCCCCCCCCCCC2=CC(OC2=O)C |
| InChIKey | BUQYQSMGNYBXDM-UHFFFAOYSA-N |
The XLogP value of 13.8 indicates that 4-[12-(3-hexadec-3-enyloxiran-2-yl)dodecyl]-2-methyl-2H-furan-5-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.8 Ų, 4-[12-(3-hexadec-3-enyloxiran-2-yl)dodecyl]-2-methyl-2H-furan-5-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[12-(3-hexadec-3-enyloxiran-2-yl)dodecyl]-2-methyl-2H-furan-5-one has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 4-[12-(3-hexadec-3-enyloxiran-2-yl)dodecyl]-2-methyl-2H-furan-5-one is 151484-64-9.
The molecular formula of 4-[12-(3-hexadec-3-enyloxiran-2-yl)dodecyl]-2-methyl-2H-furan-5-one is C35H62O3.
The molecular weight of 4-[12-(3-hexadec-3-enyloxiran-2-yl)dodecyl]-2-methyl-2H-furan-5-one is 530.4699 g/mol.
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