1,5,7-Octatrien-3-ol, 3,7-dimethyl-, 3-acetate
TL;DR: 1,5,7-Octatrien-3-ol, 3,7-dimethyl-, 3-acetate (CAS 84788-04-5) is a chemical compound with molecular formula C12H18O2 and molecular weight 194.13068 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,7-dimethylocta-1,5,7-trien-3-yl acetate
Also Known As: 3,7-dimethylocta-1,5,7-trien-3-ylacetate, 3,7-Dimethylocta-1,5,7-trien-3-yl acetate, 1,5,7-Octatrien-3-ol, 3,7-dimethyl-, 3-acetate, 1,5,7-Octatrien-3-ol,3,7-dimethyl-, 3-acetate, 1,5,7-Octatrien-3-ol,3,7-dimethyl-, acetate, (5E)- (9CI)
Technical Specifications
| Molecular Formula | C12H18O2 |
| Molecular Weight | 194.13068 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 194.13068 Da |
| Heavy Atoms | 14 |
| Complexity | 263.0 |
| SMILES | CC(=C)C=CCC(C)(C=C)OC(=O)C |
| InChIKey | BTTUBYGGUJLPGO-UHFFFAOYSA-N |
Chemical Property Profile of 1,5,7-Octatrien-3-ol, 3,7-dimethyl-, 3-acetate
Property Insights of 1,5,7-Octatrien-3-ol, 3,7-dimethyl-, 3-acetate
The XLogP value of 3.4 indicates that 1,5,7-Octatrien-3-ol, 3,7-dimethyl-, 3-acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 1,5,7-Octatrien-3-ol, 3,7-dimethyl-, 3-acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,5,7-Octatrien-3-ol, 3,7-dimethyl-, 3-acetate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1,5,7-Octatrien-3-ol, 3,7-dimethyl-, 3-acetate?
The CAS number of 1,5,7-Octatrien-3-ol, 3,7-dimethyl-, 3-acetate is 84788-04-5.
What is the molecular formula of 1,5,7-Octatrien-3-ol, 3,7-dimethyl-, 3-acetate?
The molecular formula of 1,5,7-Octatrien-3-ol, 3,7-dimethyl-, 3-acetate is C12H18O2.
What is the molecular weight of 1,5,7-Octatrien-3-ol, 3,7-dimethyl-, 3-acetate?
The molecular weight of 1,5,7-Octatrien-3-ol, 3,7-dimethyl-, 3-acetate is 194.13068 g/mol.
Where can I buy 1,5,7-Octatrien-3-ol, 3,7-dimethyl-, 3-acetate?
You can request a quote for 1,5,7-Octatrien-3-ol, 3,7-dimethyl-, 3-acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,5,7-Octatrien-3-ol, 3,7-dimethyl-, 3-acetate?
Yes, CoreyChem provides custom synthesis services for 1,5,7-Octatrien-3-ol, 3,7-dimethyl-, 3-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.