Pentanoic acid, 4-methyl-, (2E)-3,7-dimethyl-2,6-octadienyl ester
TL;DR: Pentanoic acid, 4-methyl-, (2E)-3,7-dimethyl-2,6-octadienyl ester (CAS 136050-78-7) is a chemical compound with molecular formula C16H28O2 and molecular weight 252.20892 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,7-dimethylocta-2,6-dienyl 4-methylpentanoate
Also Known As: 3,7-dimethylocta-2,6-dienyl 4-methylpentanoate, Pentanoic acid, 4-methyl-, (2E)-3,7-dimethyl-2,6-octadienyl ester, 3,7-DIMETHYLOCTA-2,6-DIEN-1-YL 4-METHYLPENTANOATE, Pentanoic acid,4-methyl-,(2E)-3,7-dimethyl-2,6-octadienyl ester
Technical Specifications
| Molecular Formula | C16H28O2 |
| Molecular Weight | 252.20892 g/mol |
| XLogP | 5.1 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 252.20892 Da |
| Heavy Atoms | 18 |
| Complexity | 294.0 |
| SMILES | CC(C)CCC(=O)OCC=C(C)CCC=C(C)C |
| InChIKey | DUFDVHTVEPGEQM-UHFFFAOYSA-N |
Chemical Property Profile of Pentanoic acid, 4-methyl-, (2E)-3,7-dimethyl-2,6-octadienyl ester
Property Insights of Pentanoic acid, 4-methyl-, (2E)-3,7-dimethyl-2,6-octadienyl ester
The XLogP value of 5.1 indicates that Pentanoic acid, 4-methyl-, (2E)-3,7-dimethyl-2,6-octadienyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Pentanoic acid, 4-methyl-, (2E)-3,7-dimethyl-2,6-octadienyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentanoic acid, 4-methyl-, (2E)-3,7-dimethyl-2,6-octadienyl ester has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Pentanoic acid, 4-methyl-, (2E)-3,7-dimethyl-2,6-octadienyl ester?
The CAS number of Pentanoic acid, 4-methyl-, (2E)-3,7-dimethyl-2,6-octadienyl ester is 136050-78-7.
What is the molecular formula of Pentanoic acid, 4-methyl-, (2E)-3,7-dimethyl-2,6-octadienyl ester?
The molecular formula of Pentanoic acid, 4-methyl-, (2E)-3,7-dimethyl-2,6-octadienyl ester is C16H28O2.
What is the molecular weight of Pentanoic acid, 4-methyl-, (2E)-3,7-dimethyl-2,6-octadienyl ester?
The molecular weight of Pentanoic acid, 4-methyl-, (2E)-3,7-dimethyl-2,6-octadienyl ester is 252.20892 g/mol.
Where can I buy Pentanoic acid, 4-methyl-, (2E)-3,7-dimethyl-2,6-octadienyl ester?
You can request a quote for Pentanoic acid, 4-methyl-, (2E)-3,7-dimethyl-2,6-octadienyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Pentanoic acid, 4-methyl-, (2E)-3,7-dimethyl-2,6-octadienyl ester?
Yes, CoreyChem provides custom synthesis services for Pentanoic acid, 4-methyl-, (2E)-3,7-dimethyl-2,6-octadienyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.