TL;DR: 7-Methyl-4-(propan-2-yl)octahydro-3h-cyclopenta[1,3]cyclopropa[1,2]benzen-3-one (CAS 137765-06-1) is a chemical compound with molecular formula C14H22O and molecular weight 206.16707 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
10-methyl-7-propan-2-yltricyclo[4.4.0.01,5]decan-4-one
Also Known As: 7-methyl-4-(propan-2-yl)octahydro-3h-cyclopenta[1,3]cyclopropa[1,2]benzen-3-one, 1,3,5-Benzenetricarbonitrile,2,4,6-trihydroxy, 7-methyl-4-(propan-2-yl)octahydro-3h-cyclopenta[1,3]cyclopro
| Molecular Formula | C14H22O |
| Molecular Weight | 206.16707 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 206.16707 Da |
| Heavy Atoms | 15 |
| Complexity | 306.0 |
| SMILES | CC1CCC(C2C13C2C(=O)CC3)C(C)C |
| InChIKey | AECZTIGLSGLNBJ-UHFFFAOYSA-N |
The XLogP value of 3.5 indicates that 7-Methyl-4-(propan-2-yl)octahydro-3h-cyclopenta[1,3]cyclopropa[1,2]benzen-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 7-Methyl-4-(propan-2-yl)octahydro-3h-cyclopenta[1,3]cyclopropa[1,2]benzen-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Methyl-4-(propan-2-yl)octahydro-3h-cyclopenta[1,3]cyclopropa[1,2]benzen-3-one has 0 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 7-Methyl-4-(propan-2-yl)octahydro-3h-cyclopenta[1,3]cyclopropa[1,2]benzen-3-one is 137765-06-1.
The molecular formula of 7-Methyl-4-(propan-2-yl)octahydro-3h-cyclopenta[1,3]cyclopropa[1,2]benzen-3-one is C14H22O.
The molecular weight of 7-Methyl-4-(propan-2-yl)octahydro-3h-cyclopenta[1,3]cyclopropa[1,2]benzen-3-one is 206.16707 g/mol.
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