(E)-1-(1,3-benzodioxol-5-yl)-4,4-dimethylpent-1-en-3-one
TL;DR: (E)-1-(1,3-benzodioxol-5-yl)-4,4-dimethylpent-1-en-3-one (CAS 1262795-35-6) is a chemical compound with molecular formula C14H16O3 and molecular weight 232.10994 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(1,3-benzodioxol-5-yl)-4,4-dimethylpent-1-en-3-one
Also Known As: (E)-1-(1,3-benzodioxol-5-yl)-4,4-dimethylpent-1-en-3-one, 1-(1,3-benzodioxol-5-yl)-4,4-dimethylpent-1-en-3-one, 1-(1,3-Benzodioxol-5-yl)-4,4-dimethyl-1-penten-3-one, 1-(3,4-Methylenedioxyphenyl)-4,4-dimethyl-pent-1-en-3-one, 1-(Benzo[d][1,3]dioxol-5-yl)-4,4-dimethylpent-1-en-3-one
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C14H16O3 |
| Molecular Weight | 232.10994 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 232.10994 Da |
| Heavy Atoms | 17 |
| Complexity | 314.0 |
| SMILES | CC(C)(C)C(=O)C=CC1=CC2=C(C=C1)OCO2 |
| InChIKey | LXFNQCGNCFRKRR-UHFFFAOYSA-N |
Chemical Property Profile of (E)-1-(1,3-benzodioxol-5-yl)-4,4-dimethylpent-1-en-3-one
Property Insights of (E)-1-(1,3-benzodioxol-5-yl)-4,4-dimethylpent-1-en-3-one
The XLogP value of 3.6 indicates that (E)-1-(1,3-benzodioxol-5-yl)-4,4-dimethylpent-1-en-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, (E)-1-(1,3-benzodioxol-5-yl)-4,4-dimethylpent-1-en-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-1-(1,3-benzodioxol-5-yl)-4,4-dimethylpent-1-en-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 (E)-1-(1,3-benzodioxol-5-yl)-4,4-dimethylpent-1-en-3-one?
The CAS number of (E)-1-(1,3-benzodioxol-5-yl)-4,4-dimethylpent-1-en-3-one is 1262795-35-6.
What is the molecular formula of (E)-1-(1,3-benzodioxol-5-yl)-4,4-dimethylpent-1-en-3-one?
The molecular formula of (E)-1-(1,3-benzodioxol-5-yl)-4,4-dimethylpent-1-en-3-one is C14H16O3.
What is the molecular weight of (E)-1-(1,3-benzodioxol-5-yl)-4,4-dimethylpent-1-en-3-one?
The molecular weight of (E)-1-(1,3-benzodioxol-5-yl)-4,4-dimethylpent-1-en-3-one is 232.10994 g/mol.
Where can I buy (E)-1-(1,3-benzodioxol-5-yl)-4,4-dimethylpent-1-en-3-one?
You can request a quote for (E)-1-(1,3-benzodioxol-5-yl)-4,4-dimethylpent-1-en-3-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (E)-1-(1,3-benzodioxol-5-yl)-4,4-dimethylpent-1-en-3-one?
Yes, CoreyChem provides custom synthesis services for (E)-1-(1,3-benzodioxol-5-yl)-4,4-dimethylpent-1-en-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.