5,5-Dimethyl-1-(1,3-benzodioxol-5-yl)-1-hexen-3-one
TL;DR: 5,5-Dimethyl-1-(1,3-benzodioxol-5-yl)-1-hexen-3-one (CAS 58344-54-0) is a chemical compound with molecular formula C15H18O3 and molecular weight 246.1256 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(1,3-benzodioxol-5-yl)-5,5-dimethylhex-1-en-3-one
Also Known As: 5,5-dimethyl-1-1-hexen-3-one, 5,5-Dimethyl-1-(1,3-benzodioxol-5-yl)-1-hexen-3-one
Technical Specifications
| Molecular Formula | C15H18O3 |
| Molecular Weight | 246.1256 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 246.1256 Da |
| Heavy Atoms | 18 |
| Complexity | 327.0 |
| SMILES | CC(C)(C)CC(=O)C=CC1=CC2=C(C=C1)OCO2 |
| InChIKey | LNGZEQJRNZOUHD-UHFFFAOYSA-N |
Chemical Property Profile of 5,5-Dimethyl-1-(1,3-benzodioxol-5-yl)-1-hexen-3-one
Property Insights of 5,5-Dimethyl-1-(1,3-benzodioxol-5-yl)-1-hexen-3-one
The XLogP value of 3.9 indicates that 5,5-Dimethyl-1-(1,3-benzodioxol-5-yl)-1-hexen-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, 5,5-Dimethyl-1-(1,3-benzodioxol-5-yl)-1-hexen-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,5-Dimethyl-1-(1,3-benzodioxol-5-yl)-1-hexen-3-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 5,5-Dimethyl-1-(1,3-benzodioxol-5-yl)-1-hexen-3-one?
The CAS number of 5,5-Dimethyl-1-(1,3-benzodioxol-5-yl)-1-hexen-3-one is 58344-54-0.
What is the molecular formula of 5,5-Dimethyl-1-(1,3-benzodioxol-5-yl)-1-hexen-3-one?
The molecular formula of 5,5-Dimethyl-1-(1,3-benzodioxol-5-yl)-1-hexen-3-one is C15H18O3.
What is the molecular weight of 5,5-Dimethyl-1-(1,3-benzodioxol-5-yl)-1-hexen-3-one?
The molecular weight of 5,5-Dimethyl-1-(1,3-benzodioxol-5-yl)-1-hexen-3-one is 246.1256 g/mol.
Where can I buy 5,5-Dimethyl-1-(1,3-benzodioxol-5-yl)-1-hexen-3-one?
You can request a quote for 5,5-Dimethyl-1-(1,3-benzodioxol-5-yl)-1-hexen-3-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5,5-Dimethyl-1-(1,3-benzodioxol-5-yl)-1-hexen-3-one?
Yes, CoreyChem provides custom synthesis services for 5,5-Dimethyl-1-(1,3-benzodioxol-5-yl)-1-hexen-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.