![5,6,6-Trimethyl-5-(3-oxobut-1-enyl)-1-oxaspiro[2.5]octan-4-one structure](/static/products/1039/1039431-60-1.webp)
5,6,6-Trimethyl-5-(3-oxobut-1-enyl)-1-oxaspiro[2.5]octan-4-one
TL;DR: 5,6,6-Trimethyl-5-(3-oxobut-1-enyl)-1-oxaspiro[2.5]octan-4-one (CAS 1039431-60-1) is a chemical compound with molecular formula C14H20O3 and molecular weight 236.14125 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5,6,6-trimethyl-5-[(E)-3-oxobut-1-enyl]-1-oxaspiro[2.5]octan-4-one
Also Known As: 5,6,6-Trimethyl-5-(3-oxobut-1-enyl)-1-oxaspiro[2.5]octan-4-one, 5,6,6-Trimethyl-5-(3-oxobut-1-en-1-yl)-1-oxaspiro[2.5]octan-4-one, 5,6,6-Trimethyl-5-[(1E)-3-oxo-1-butenyl]-1-oxaspiro[2.5]octan-4-one #, 6,6,7-trimethyl-7-[(E)-3-oxobut-1-enyl]-2-oxaspiro[2.5]octan-8-one, 5,6,6-Trimethyl-5-(3-oxobut-1-enyl)-1-oxaspiro[2.5]octan-4-one (Technical Grade)
Technical Specifications
| Molecular Formula | C14H20O3 |
| Molecular Weight | 236.14125 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 46.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 236.14125 Da |
| Heavy Atoms | 17 |
| Complexity | 408.0 |
| SMILES | CC(=O)/C=C/C1(C(=O)C2(CCC1(C)C)CO2)C |
| InChIKey | QZPGDWIOTPDRKE-AATRIKPKSA-N |
Chemical Property Profile of 5,6,6-Trimethyl-5-(3-oxobut-1-enyl)-1-oxaspiro[2.5]octan-4-one
Property Insights of 5,6,6-Trimethyl-5-(3-oxobut-1-enyl)-1-oxaspiro[2.5]octan-4-one
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,6,6-Trimethyl-5-(3-oxobut-1-enyl)-1-oxaspiro[2.5]octan-4-one. With a topological polar surface area (TPSA) of 46.7 Ų, 5,6,6-Trimethyl-5-(3-oxobut-1-enyl)-1-oxaspiro[2.5]octan-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,6,6-Trimethyl-5-(3-oxobut-1-enyl)-1-oxaspiro[2.5]octan-4-one 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
What is the CAS number of 5,6,6-Trimethyl-5-(3-oxobut-1-enyl)-1-oxaspiro[2.5]octan-4-one?
The CAS number of 5,6,6-Trimethyl-5-(3-oxobut-1-enyl)-1-oxaspiro[2.5]octan-4-one is 1039431-60-1.
What is the molecular formula of 5,6,6-Trimethyl-5-(3-oxobut-1-enyl)-1-oxaspiro[2.5]octan-4-one?
The molecular formula of 5,6,6-Trimethyl-5-(3-oxobut-1-enyl)-1-oxaspiro[2.5]octan-4-one is C14H20O3.
What is the molecular weight of 5,6,6-Trimethyl-5-(3-oxobut-1-enyl)-1-oxaspiro[2.5]octan-4-one?
The molecular weight of 5,6,6-Trimethyl-5-(3-oxobut-1-enyl)-1-oxaspiro[2.5]octan-4-one is 236.14125 g/mol.
Where can I buy 5,6,6-Trimethyl-5-(3-oxobut-1-enyl)-1-oxaspiro[2.5]octan-4-one?
You can request a quote for 5,6,6-Trimethyl-5-(3-oxobut-1-enyl)-1-oxaspiro[2.5]octan-4-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5,6,6-Trimethyl-5-(3-oxobut-1-enyl)-1-oxaspiro[2.5]octan-4-one?
Yes, CoreyChem provides custom synthesis services for 5,6,6-Trimethyl-5-(3-oxobut-1-enyl)-1-oxaspiro[2.5]octan-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.