TL;DR: 3,5-Bis(methoxymethyl)-2,4,6-trimethylbenzaldehyde (CAS 135779-02-1) is a chemical compound with molecular formula C14H20O3 and molecular weight 236.14125 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,5-bis(methoxymethyl)-2,4,6-trimethylbenzaldehyde
Also Known As: 3,5-bis(methoxymethyl)-2,4,6-trimethylbenzaldehyde, AmbscPOD_03/0299, 3,5-bis(methoxymethyl)-2,4,6-trimethyl-benzaldehyde
| Molecular Formula | C14H20O3 |
| Molecular Weight | 236.14125 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 236.14125 Da |
| Heavy Atoms | 17 |
| Complexity | 222.0 |
| SMILES | CC1=C(C(=C(C(=C1COC)C)C=O)C)COC |
| InChIKey | OMBNIBNNZOOPOB-UHFFFAOYSA-N |
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Bis(methoxymethyl)-2,4,6-trimethylbenzaldehyde. With a topological polar surface area (TPSA) of 35.5 Ų, 3,5-Bis(methoxymethyl)-2,4,6-trimethylbenzaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Bis(methoxymethyl)-2,4,6-trimethylbenzaldehyde 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 3,5-Bis(methoxymethyl)-2,4,6-trimethylbenzaldehyde is 135779-02-1.
The molecular formula of 3,5-Bis(methoxymethyl)-2,4,6-trimethylbenzaldehyde is C14H20O3.
The molecular weight of 3,5-Bis(methoxymethyl)-2,4,6-trimethylbenzaldehyde is 236.14125 g/mol.
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