TL;DR: Cycloheptanol, 2,2,7,7-tetramethyl-1-(2-propenyl)- (CAS 115399-96-7) is a chemical compound with molecular formula C14H26O and molecular weight 210.19836 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,2,7,7-tetramethyl-1-prop-2-enylcycloheptan-1-ol
Also Known As: 1-allyl-2,2,7,7-tetramethylcycloheptanol, Cycloheptanol, 2,2,7,7-tetramethyl-1-(2-propenyl)-, 2,2,7,7-tetramethyl-1-prop-2-enylcycloheptan-1-ol, 1-allyl-2,2,7,7-tetramethyl cycloheptanol, 1-Allyl-2,2,7,7-tetramethylcycloheptan-1-ol
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C14H26O |
| Molecular Weight | 210.19836 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 210.19836 Da |
| Heavy Atoms | 15 |
| Complexity | 220.0 |
| SMILES | CC1(CCCCC(C1(CC=C)O)(C)C)C |
| InChIKey | FFYUAKBJWFOMLK-UHFFFAOYSA-N |
The XLogP value of 4.5 indicates that Cycloheptanol, 2,2,7,7-tetramethyl-1-(2-propenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, Cycloheptanol, 2,2,7,7-tetramethyl-1-(2-propenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cycloheptanol, 2,2,7,7-tetramethyl-1-(2-propenyl)- has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Cycloheptanol, 2,2,7,7-tetramethyl-1-(2-propenyl)- is 115399-96-7.
The molecular formula of Cycloheptanol, 2,2,7,7-tetramethyl-1-(2-propenyl)- is C14H26O.
The molecular weight of Cycloheptanol, 2,2,7,7-tetramethyl-1-(2-propenyl)- is 210.19836 g/mol.
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