TL;DR: 1,4-Bis(ethoxymethyl)cyclohexane (CAS 1417523-62-6) is a chemical compound with molecular formula C12H24O2 and molecular weight 200.17763 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,4-bis(ethoxymethyl)cyclohexane
Also Known As: 1,4-Bis(ethoxymethyl)cyclohexane, Cyclohexane, 1,4-bis(ethoxymethyl)-, cis-1,4-Bis(ethoxymethyl)cyclohexane, trans-1,4-Bis(ethoxymethyl)cyclohexane, 1,4-Bis(ethoxymethyl)cyclohexane #
| Molecular Formula | C12H24O2 |
| Molecular Weight | 200.17763 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 200.17763 Da |
| Heavy Atoms | 14 |
| Complexity | 112.0 |
| SMILES | CCOCC1CCC(CC1)COCC |
| InChIKey | DEROEFJZVPSIAO-UHFFFAOYSA-N |
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Bis(ethoxymethyl)cyclohexane. With a topological polar surface area (TPSA) of 18.5 Ų, 1,4-Bis(ethoxymethyl)cyclohexane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Bis(ethoxymethyl)cyclohexane has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1,4-Bis(ethoxymethyl)cyclohexane is 1417523-62-6.
The molecular formula of 1,4-Bis(ethoxymethyl)cyclohexane is C12H24O2.
The molecular weight of 1,4-Bis(ethoxymethyl)cyclohexane is 200.17763 g/mol.
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