4-庚烯酸2,2,5-三甲基甲酯
TL;DR: 4-庚烯酸2,2,5-三甲基甲酯 (CAS 68891-90-7) is a chemical compound with molecular formula C11H20O2 and molecular weight 184.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-庚烯酸2,2,5-三甲基甲酯
methyl 2,2,5-trimethylhept-4-enoate
Also Known As: Methyl 2,5,5-trimethylhept-4-enoate, 4-Heptenoic acid, 2,2,5-trimethyl-, methyl ester, EINECS 272-583-1, RefChem:523574
| Molecular Formula | C11H20O2 |
|---|---|
| Molecular Weight | 184.15 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 184.14633 |
| Heavy Atoms | 13 |
| Complexity | 202.0 |
Chemical Identifiers
| CAS Number | 68891-90-7 |
|---|---|
| SMILES | CCC(=CCC(C)(C)C(=O)OC)C |
| InChIKey | KKMHPBMLAANVOR-UHFFFAOYSA-N |
Product Overview
4-庚烯酸2,2,5-三甲基甲酯 (CAS 68891-90-7), with molecular formula C11H20O2 and molecular weight 184.15 g/mol. IUPAC: methyl 2,2,5-trimethylhept-4-enoate.
Chemical Property Profile of 4-庚烯酸2,2,5-三甲基甲酯
Property Insights of 4-庚烯酸2,2,5-三甲基甲酯
The XLogP value of 3.4 indicates that 4-庚烯酸2,2,5-三甲基甲酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 4-庚烯酸2,2,5-三甲基甲酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-庚烯酸2,2,5-三甲基甲酯 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
Frequently Asked Questions
What is the CAS number of 4-庚烯酸2,2,5-三甲基甲酯?
The CAS number of 4-庚烯酸2,2,5-三甲基甲酯 is 68891-90-7.
What is the molecular formula of 4-庚烯酸2,2,5-三甲基甲酯?
The molecular formula of 4-庚烯酸2,2,5-三甲基甲酯 is C11H20O2.
What is the molecular weight of 4-庚烯酸2,2,5-三甲基甲酯?
The molecular weight of 4-庚烯酸2,2,5-三甲基甲酯 is 184.15 g/mol.
Where can I buy 4-庚烯酸2,2,5-三甲基甲酯?
You can request a quote for 4-庚烯酸2,2,5-三甲基甲酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-庚烯酸2,2,5-三甲基甲酯?
Yes, KEHONG BIO provides custom synthesis services for 4-庚烯酸2,2,5-三甲基甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.