TL;DR: Benzene, 1,4-dibutoxy-2,5-bis(1,1-dimethylethyl)- (CAS 125904-18-9) is a chemical compound with molecular formula C22H38O2 and molecular weight 334.28717 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,4-dibutoxy-2,5-ditert-butylbenzene
Also Known As: 1,4-dibutoxy-2,5-ditert-butylbenzene, Benzene, 1,4-dibutoxy-2,5-bis(1,1-dimethylethyl)-, 1,4-dibutoxy-2,5-di-tert-butylbenzene, 2,5-Di-tert-butyl-1,4-dibutoxy benzene, Benzene,1,4-dibutoxy-2,5-bis(1,1-dimethylethyl)
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C22H38O2 |
| Molecular Weight | 334.28717 g/mol |
| XLogP | 7.7 |
| Topological Polar Surface Area (TPSA) | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 10 |
| Exact Mass | 334.28717 Da |
| Heavy Atoms | 24 |
| Complexity | 303.0 |
| SMILES | CCCCOC1=CC(=C(C=C1C(C)(C)C)OCCCC)C(C)(C)C |
| InChIKey | OYMURBYTRMDBKX-UHFFFAOYSA-N |
The XLogP value of 7.7 indicates that Benzene, 1,4-dibutoxy-2,5-bis(1,1-dimethylethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.5 Ų, Benzene, 1,4-dibutoxy-2,5-bis(1,1-dimethylethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 1,4-dibutoxy-2,5-bis(1,1-dimethylethyl)- has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Benzene, 1,4-dibutoxy-2,5-bis(1,1-dimethylethyl)- is 125904-18-9.
The molecular formula of Benzene, 1,4-dibutoxy-2,5-bis(1,1-dimethylethyl)- is C22H38O2.
The molecular weight of Benzene, 1,4-dibutoxy-2,5-bis(1,1-dimethylethyl)- is 334.28717 g/mol.
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