TL;DR: Bicyclo[3.1.0]hexan-3-one, 4-methylene-1-(1-methylethyl)-(9CI) (CAS 116660-68-5) is a chemical compound with molecular formula C10H14O and molecular weight 150.10446 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexan-3-one
Also Known As: 4,10-Didehydrothujane-3-one, 4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexan-3-one, J1.624.479A, Bicyclo[3.1.0]hexan-3-one, 4-methylene-1-(1-methylethyl)- (9CI), 2-methylidene-5-propan-2-ylbicyclo[3.1.0]hexan-3-one
| Molecular Formula | C10H14O |
| Molecular Weight | 150.10446 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 150.10446 Da |
| Heavy Atoms | 11 |
| Complexity | 239.0 |
| SMILES | CC(C)C12CC1C(=C)C(=O)C2 |
| InChIKey | PBLWMCQDAGOTPV-UHFFFAOYSA-N |
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bicyclo[3.1.0]hexan-3-one, 4-methylene-1-(1-methylethyl)-(9CI). With a topological polar surface area (TPSA) of 17.1 Ų, Bicyclo[3.1.0]hexan-3-one, 4-methylene-1-(1-methylethyl)-(9CI) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bicyclo[3.1.0]hexan-3-one, 4-methylene-1-(1-methylethyl)-(9CI) 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 Bicyclo[3.1.0]hexan-3-one, 4-methylene-1-(1-methylethyl)-(9CI) is 116660-68-5.
The molecular formula of Bicyclo[3.1.0]hexan-3-one, 4-methylene-1-(1-methylethyl)-(9CI) is C10H14O.
The molecular weight of Bicyclo[3.1.0]hexan-3-one, 4-methylene-1-(1-methylethyl)-(9CI) is 150.10446 g/mol.
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