TL;DR: 1-Cyclopentene-1-propanol, beta,2-dimethyl-5-(1-methylethenyl)-, 1-acetate (CAS 54043-73-1) is a chemical compound with molecular formula C15H24O2 and molecular weight 236.17763 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-methyl-3-(2-methyl-5-prop-1-en-2-ylcyclopenten-1-yl)propyl] acetate
Also Known As: 5-Isopropenyl-beta,2-dimethylcyclopent-1-ene-1-propyl acetate, 1-Cyclopentene-1-propanol, beta,2-dimethyl-5-(1-methylethenyl)-, 1-acetate, 1-Cyclopentene-1-propanol, beta,2-dimethyl-5-(1-methylethenyl)-, acetate, 1-Cyclopentene-1-propanol, .beta.,2-dimethyl-5-(1-methylethenyl)-, acetate, 1-cyclopentene-1-propanol,
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C15H24O2 |
| Molecular Weight | 236.17763 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 236.17763 Da |
| Heavy Atoms | 17 |
| Complexity | 339.0 |
| SMILES | CC1=C(C(CC1)C(=C)C)CC(C)COC(=O)C |
| InChIKey | RCULSNWXGDTJBO-UHFFFAOYSA-N |
The XLogP value of 3.6 indicates that 1-Cyclopentene-1-propanol, beta,2-dimethyl-5-(1-methylethenyl)-, 1-acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 1-Cyclopentene-1-propanol, beta,2-dimethyl-5-(1-methylethenyl)-, 1-acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Cyclopentene-1-propanol, beta,2-dimethyl-5-(1-methylethenyl)-, 1-acetate 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-Cyclopentene-1-propanol, beta,2-dimethyl-5-(1-methylethenyl)-, 1-acetate is 54043-73-1.
The molecular formula of 1-Cyclopentene-1-propanol, beta,2-dimethyl-5-(1-methylethenyl)-, 1-acetate is C15H24O2.
The molecular weight of 1-Cyclopentene-1-propanol, beta,2-dimethyl-5-(1-methylethenyl)-, 1-acetate is 236.17763 g/mol.
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