3-Benzylidene-5,5-dimethyloxolan-2-one
TL;DR: 3-Benzylidene-5,5-dimethyloxolan-2-one (CAS 66341-25-1) is a chemical compound with molecular formula C13H14O2 and molecular weight 202.09938 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-benzylidene-5,5-dimethyloxolan-2-one
Also Known As: 3-benzylidene-5,5-dimethyloxolan-2-one, 2(3H)-Furanone, dihydro-5,5-dimethyl-3-(phenylmethylene)-, (E)-, 2(3H)-Furanone, dihydro-5,5-dimethyl-3-(phenylmethylene)-
Technical Specifications
| Molecular Formula | C13H14O2 |
| Molecular Weight | 202.09938 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 202.09938 Da |
| Heavy Atoms | 15 |
| Complexity | 283.0 |
| SMILES | CC1(CC(=CC2=CC=CC=C2)C(=O)O1)C |
| InChIKey | YJYNXXMKUKZVQI-UHFFFAOYSA-N |
Chemical Property Profile of 3-Benzylidene-5,5-dimethyloxolan-2-one
Property Insights of 3-Benzylidene-5,5-dimethyloxolan-2-one
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Benzylidene-5,5-dimethyloxolan-2-one. With a topological polar surface area (TPSA) of 26.3 Ų, 3-Benzylidene-5,5-dimethyloxolan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Benzylidene-5,5-dimethyloxolan-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 3-Benzylidene-5,5-dimethyloxolan-2-one?
The CAS number of 3-Benzylidene-5,5-dimethyloxolan-2-one is 66341-25-1.
What is the molecular formula of 3-Benzylidene-5,5-dimethyloxolan-2-one?
The molecular formula of 3-Benzylidene-5,5-dimethyloxolan-2-one is C13H14O2.
What is the molecular weight of 3-Benzylidene-5,5-dimethyloxolan-2-one?
The molecular weight of 3-Benzylidene-5,5-dimethyloxolan-2-one is 202.09938 g/mol.
Where can I buy 3-Benzylidene-5,5-dimethyloxolan-2-one?
You can request a quote for 3-Benzylidene-5,5-dimethyloxolan-2-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Benzylidene-5,5-dimethyloxolan-2-one?
Yes, CoreyChem provides custom synthesis services for 3-Benzylidene-5,5-dimethyloxolan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.