3,7-Dimethylocta-2,6-dien-1-yl 3-oxobutanoate
TL;DR: 3,7-Dimethylocta-2,6-dien-1-yl 3-oxobutanoate (CAS 10032-00-5) is a chemical compound with molecular formula C14H22O3 and molecular weight 238.15689 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,7-dimethylocta-2,6-dienyl 3-oxobutanoate
Also Known As: Geranyl acetoacetate, Geranyl 3-oxobutanoate, 3,7-dimethylocta-2,6-dienyl 3-oxobutanoate, 3,7-Dimethyl-2,6-octadien-1-yl 3-oxobutanoate, 3,7-dimethylocta-2,6-dien-1-yl 3-oxobutanoate
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C14H22O3 |
| Molecular Weight | 238.15689 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 238.15689 Da |
| Heavy Atoms | 17 |
| Complexity | 320.0 |
| SMILES | CC(=CCCC(=CCOC(=O)CC(=O)C)C)C |
| InChIKey | RYILZWKGLGVPOC-UHFFFAOYSA-N |
Chemical Property Profile of 3,7-Dimethylocta-2,6-dien-1-yl 3-oxobutanoate
Property Insights of 3,7-Dimethylocta-2,6-dien-1-yl 3-oxobutanoate
The XLogP value of 3.3 indicates that 3,7-Dimethylocta-2,6-dien-1-yl 3-oxobutanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, 3,7-Dimethylocta-2,6-dien-1-yl 3-oxobutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,7-Dimethylocta-2,6-dien-1-yl 3-oxobutanoate 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 3,7-Dimethylocta-2,6-dien-1-yl 3-oxobutanoate?
The CAS number of 3,7-Dimethylocta-2,6-dien-1-yl 3-oxobutanoate is 10032-00-5.
What is the molecular formula of 3,7-Dimethylocta-2,6-dien-1-yl 3-oxobutanoate?
The molecular formula of 3,7-Dimethylocta-2,6-dien-1-yl 3-oxobutanoate is C14H22O3.
What is the molecular weight of 3,7-Dimethylocta-2,6-dien-1-yl 3-oxobutanoate?
The molecular weight of 3,7-Dimethylocta-2,6-dien-1-yl 3-oxobutanoate is 238.15689 g/mol.
Where can I buy 3,7-Dimethylocta-2,6-dien-1-yl 3-oxobutanoate?
You can request a quote for 3,7-Dimethylocta-2,6-dien-1-yl 3-oxobutanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,7-Dimethylocta-2,6-dien-1-yl 3-oxobutanoate?
Yes, CoreyChem provides custom synthesis services for 3,7-Dimethylocta-2,6-dien-1-yl 3-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.