4-(7-Methoxy-3,7-dimethyloctylidene)-3-methylpent-2-enedioic acid
TL;DR: 4-(7-Methoxy-3,7-dimethyloctylidene)-3-methylpent-2-enedioic acid (CAS 53023-60-2) is a chemical compound with molecular formula C17H28O5 and molecular weight 312.19366 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(7-methoxy-3,7-dimethyloctylidene)-3-methylpent-2-enedioic acid
Also Known As: (Z,E)-(+-)-4-(7-methoxy-3,7-dimethyloctylidene)-3-methylpent-2-ene-1,5-dioic acid, 2-Pentenedioic acid, 4-(7-methoxy-3,7-dimethyloctylidene)-3-methyl-, (2Z,4E)-, 2-Pentenedioic acid, 4-(7-methoxy-3,7-dimethyloctylidene)-3-methyl-, (Z,E)-, 2-Pentenedioic acid, 4-(7-methoxy-3,7-dimethyloctylidene)-3-methyl-, (Z,E)-(.+.)-
Technical Specifications
| Molecular Formula | C17H28O5 |
| Molecular Weight | 312.19366 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 83.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 312.19366 Da |
| Heavy Atoms | 22 |
| Complexity | 446.0 |
| SMILES | CC(CCCC(C)(C)OC)CC=C(C(=CC(=O)O)C)C(=O)O |
| InChIKey | ZGOJGQUEKNNWOG-UHFFFAOYSA-N |
Chemical Property Profile of 4-(7-Methoxy-3,7-dimethyloctylidene)-3-methylpent-2-enedioic acid
Property Insights of 4-(7-Methoxy-3,7-dimethyloctylidene)-3-methylpent-2-enedioic acid
The XLogP value of 3.6 indicates that 4-(7-Methoxy-3,7-dimethyloctylidene)-3-methylpent-2-enedioic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(7-Methoxy-3,7-dimethyloctylidene)-3-methylpent-2-enedioic acid. Following Lipinski's Rule of Five, 4-(7-Methoxy-3,7-dimethyloctylidene)-3-methylpent-2-enedioic acid has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-(7-Methoxy-3,7-dimethyloctylidene)-3-methylpent-2-enedioic acid?
The CAS number of 4-(7-Methoxy-3,7-dimethyloctylidene)-3-methylpent-2-enedioic acid is 53023-60-2.
What is the molecular formula of 4-(7-Methoxy-3,7-dimethyloctylidene)-3-methylpent-2-enedioic acid?
The molecular formula of 4-(7-Methoxy-3,7-dimethyloctylidene)-3-methylpent-2-enedioic acid is C17H28O5.
What is the molecular weight of 4-(7-Methoxy-3,7-dimethyloctylidene)-3-methylpent-2-enedioic acid?
The molecular weight of 4-(7-Methoxy-3,7-dimethyloctylidene)-3-methylpent-2-enedioic acid is 312.19366 g/mol.
Where can I buy 4-(7-Methoxy-3,7-dimethyloctylidene)-3-methylpent-2-enedioic acid?
You can request a quote for 4-(7-Methoxy-3,7-dimethyloctylidene)-3-methylpent-2-enedioic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(7-Methoxy-3,7-dimethyloctylidene)-3-methylpent-2-enedioic acid?
Yes, CoreyChem provides custom synthesis services for 4-(7-Methoxy-3,7-dimethyloctylidene)-3-methylpent-2-enedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.