5-(4-Tert-butylphenyl)oxolan-2-one
TL;DR: 5-(4-Tert-butylphenyl)oxolan-2-one (CAS 105314-78-1) is a chemical compound with molecular formula C14H18O2 and molecular weight 218.13068 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(4-tert-butylphenyl)oxolan-2-one
Also Known As: 5-(4-tert-butylphenyl)oxolan-2-one, J3.396.200B, 5-(4-tert-butylphenyl)dihydrofuran-2(3h)-one, 5-(p-(tert-Butyl)phenyl)tetrahydrofuran-2-one, 5-[4-(1,1-Dimethylethyl)phenyl]dihydro-2(3H)-furanone
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C14H18O2 |
| Molecular Weight | 218.13068 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 218.13068 Da |
| Heavy Atoms | 16 |
| Complexity | 256.0 |
| SMILES | CC(C)(C)C1=CC=C(C=C1)C2CCC(=O)O2 |
| InChIKey | UJTJBPVHZHQZTL-UHFFFAOYSA-N |
Chemical Property Profile of 5-(4-Tert-butylphenyl)oxolan-2-one
Property Insights of 5-(4-Tert-butylphenyl)oxolan-2-one
The XLogP value of 3.4 indicates that 5-(4-Tert-butylphenyl)oxolan-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 5-(4-Tert-butylphenyl)oxolan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(4-Tert-butylphenyl)oxolan-2-one has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-(4-Tert-butylphenyl)oxolan-2-one?
The CAS number of 5-(4-Tert-butylphenyl)oxolan-2-one is 105314-78-1.
What is the molecular formula of 5-(4-Tert-butylphenyl)oxolan-2-one?
The molecular formula of 5-(4-Tert-butylphenyl)oxolan-2-one is C14H18O2.
What is the molecular weight of 5-(4-Tert-butylphenyl)oxolan-2-one?
The molecular weight of 5-(4-Tert-butylphenyl)oxolan-2-one is 218.13068 g/mol.
Where can I buy 5-(4-Tert-butylphenyl)oxolan-2-one?
You can request a quote for 5-(4-Tert-butylphenyl)oxolan-2-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-(4-Tert-butylphenyl)oxolan-2-one?
Yes, CoreyChem provides custom synthesis services for 5-(4-Tert-butylphenyl)oxolan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.