2-己烯酸5-甲基甲酯
TL;DR: 2-己烯酸5-甲基甲酯 (CAS 68797-67-1) is a chemical compound with molecular formula C8H14O2 and molecular weight 142.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-己烯酸5-甲基甲酯
methyl 5-methylhex-2-enoate
Also Known As: Methyl 5-methylhex-2-enoate, Methyl 5-methyl-2-hexenoate, tripropylammonium propionate, methyl5-methylhex-2-enoate, methyl (E)-5-methylhex-2-enoate
| Molecular Formula | C8H14O2 |
|---|---|
| Molecular Weight | 142.10 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 142.09938 |
| Heavy Atoms | 10 |
| Complexity | 125.0 |
Chemical Identifiers
| CAS Number | 68797-67-1 |
|---|---|
| SMILES | CC(C)CC=CC(=O)OC |
| InChIKey | KNSMNULJDOTFMN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-己烯酸5-甲基甲酯 (CAS 68797-67-1), with molecular formula C8H14O2 and molecular weight 142.10 g/mol. IUPAC: methyl 5-methylhex-2-enoate.
Chemical Property Profile of 2-己烯酸5-甲基甲酯
Property Insights of 2-己烯酸5-甲基甲酯
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-己烯酸5-甲基甲酯. With a topological polar surface area (TPSA) of 26.3 Ų, 2-己烯酸5-甲基甲酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-己烯酸5-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 2-己烯酸5-甲基甲酯?
The CAS number of 2-己烯酸5-甲基甲酯 is 68797-67-1.
What is the molecular formula of 2-己烯酸5-甲基甲酯?
The molecular formula of 2-己烯酸5-甲基甲酯 is C8H14O2.
What is the molecular weight of 2-己烯酸5-甲基甲酯?
The molecular weight of 2-己烯酸5-甲基甲酯 is 142.10 g/mol.
Where can I buy 2-己烯酸5-甲基甲酯?
You can request a quote for 2-己烯酸5-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 2-己烯酸5-甲基甲酯?
Yes, KEHONG BIO provides custom synthesis services for 2-己烯酸5-甲基甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.