TL;DR: 1,3-Di(propan-2-yl)cyclopenta-1,3-diene (CAS 123278-27-3) is a chemical compound with molecular formula C11H18 and molecular weight 150.14085 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,3-di(propan-2-yl)cyclopenta-1,3-diene
Also Known As: 1,3-Diisopropyl-1,3-cyclopentadiene, 1,3-diisopropylcyclopentadiene, 1,3-di(propan-2-yl)cyclopenta-1,3-diene, 1,3-Diisopropyl-1,3-cyclopentadiene #, 1,3-Cyclopentadiene, 1,3-bis(1-methylethyl)-
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C11H18 |
| Molecular Weight | 150.14085 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 150.14085 Da |
| Heavy Atoms | 11 |
| Complexity | 192.0 |
| SMILES | CC(C)C1=CC(=CC1)C(C)C |
| InChIKey | QCEFTGHIXRHYPC-UHFFFAOYSA-N |
The XLogP value of 3.2 indicates that 1,3-Di(propan-2-yl)cyclopenta-1,3-diene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1,3-Di(propan-2-yl)cyclopenta-1,3-diene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Di(propan-2-yl)cyclopenta-1,3-diene has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1,3-Di(propan-2-yl)cyclopenta-1,3-diene is 123278-27-3.
The molecular formula of 1,3-Di(propan-2-yl)cyclopenta-1,3-diene is C11H18.
The molecular weight of 1,3-Di(propan-2-yl)cyclopenta-1,3-diene is 150.14085 g/mol.
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