3-(2,4,4-Trimethylpent-1-enyl)oxolane-2,5-dione
TL;DR: 3-(2,4,4-Trimethylpent-1-enyl)oxolane-2,5-dione (CAS 72198-16-4) is a chemical compound with molecular formula C12H18O3 and molecular weight 210.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,4,4-trimethylpent-1-enyl)oxolane-2,5-dione
Also Known As: 3-(2,4,4-trimethylpent-1-enyl)oxolane-2,5-dione, 3-[(Z)-2,4,4-trimethylpent-1-enyl]oxolane-2,5-dione, 3-(2,4,4-trimethylpent-1-en-1-yl)dihydrofuran-2,5-dione
| Molecular Formula | C12H18O3 |
|---|---|
| Molecular Weight | 210.13 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 210.1256 |
| Heavy Atoms | 15 |
| Complexity | 307.0 |
Chemical Identifiers
| CAS Number | 72198-16-4 |
|---|---|
| SMILES | CC(=CC1CC(=O)OC1=O)CC(C)(C)C |
| InChIKey | VAWNKQGQEGSSNK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(2,4,4-Trimethylpent-1-enyl)oxolane-2,5-dione (CAS 72198-16-4), with molecular formula C12H18O3 and molecular weight 210.13 g/mol. IUPAC: 3-(2,4,4-trimethylpent-1-enyl)oxolane-2,5-dione.
Chemical Property Profile of 3-(2,4,4-Trimethylpent-1-enyl)oxolane-2,5-dione
Property Insights of 3-(2,4,4-Trimethylpent-1-enyl)oxolane-2,5-dione
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2,4,4-Trimethylpent-1-enyl)oxolane-2,5-dione. With a topological polar surface area (TPSA) of 43.4 Ų, 3-(2,4,4-Trimethylpent-1-enyl)oxolane-2,5-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2,4,4-Trimethylpent-1-enyl)oxolane-2,5-dione has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(2,4,4-Trimethylpent-1-enyl)oxolane-2,5-dione?
The CAS number of 3-(2,4,4-Trimethylpent-1-enyl)oxolane-2,5-dione is 72198-16-4.
What is the molecular formula of 3-(2,4,4-Trimethylpent-1-enyl)oxolane-2,5-dione?
The molecular formula of 3-(2,4,4-Trimethylpent-1-enyl)oxolane-2,5-dione is C12H18O3.
What is the molecular weight of 3-(2,4,4-Trimethylpent-1-enyl)oxolane-2,5-dione?
The molecular weight of 3-(2,4,4-Trimethylpent-1-enyl)oxolane-2,5-dione is 210.13 g/mol.
Where can I buy 3-(2,4,4-Trimethylpent-1-enyl)oxolane-2,5-dione?
You can request a quote for 3-(2,4,4-Trimethylpent-1-enyl)oxolane-2,5-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2,4,4-Trimethylpent-1-enyl)oxolane-2,5-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-(2,4,4-Trimethylpent-1-enyl)oxolane-2,5-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.