TL;DR: 1-((1-Hydroperoxymethylcyclohexyl)dioxy)methylcyclohexan-1-ol (CAS 29730-06-1) is a chemical compound with molecular formula C14H26O5 and molecular weight 274.178 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[[1-(hydroperoxymethyl)cyclohexyl]peroxymethyl]cyclohexan-1-ol
Also Known As: KST-1B2896, 1-((1-Hydroperoxymethylcyclohexyl)dioxy)methylcyclohexan-1-ol, 1-[(1-HYDROPEROXYMETHYLCYCLOHEXYL)DIOXY]METHYLCYCLOHEXAN-1-OL, 1-({[1-(HYDROPEROXYMETHYL)CYCLOHEXYL]PEROXY}METHYL)CYCLOHEXAN-1-OL, 1-[[1-(Hydroperoxymethyl)cyclohexyl]peroxymethyl]cyclohexanol
| Molecular Formula | C14H26O5 |
| Molecular Weight | 274.178 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 68.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 274.178 Da |
| Heavy Atoms | 19 |
| Complexity | 257.0 |
| SMILES | C1CCC(CC1)(COOC2(CCCCC2)COO)O |
| InChIKey | PVLRGQZYXRZWFY-UHFFFAOYSA-N |
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-((1-Hydroperoxymethylcyclohexyl)dioxy)methylcyclohexan-1-ol. The TPSA of 68.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-((1-Hydroperoxymethylcyclohexyl)dioxy)methylcyclohexan-1-ol. Following Lipinski's Rule of Five, 1-((1-Hydroperoxymethylcyclohexyl)dioxy)methylcyclohexan-1-ol has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-((1-Hydroperoxymethylcyclohexyl)dioxy)methylcyclohexan-1-ol is 29730-06-1.
The molecular formula of 1-((1-Hydroperoxymethylcyclohexyl)dioxy)methylcyclohexan-1-ol is C14H26O5.
The molecular weight of 1-((1-Hydroperoxymethylcyclohexyl)dioxy)methylcyclohexan-1-ol is 274.178 g/mol.
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