5-Methyl-4-hexenoic acid, 1,1-dimethylethyl ester
TL;DR: 5-Methyl-4-hexenoic acid, 1,1-dimethylethyl ester (CAS 76871-78-8) 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.
tert-butyl 5-methylhex-4-enoate
Also Known As: tert-butyl 5-methyl-4-hexenoate, Tert-butyl 5-methylhex-4-enoate, 5-Methyl-4-hexenoic acid tert-butyl ester, 5-Methyl-4-hexenoic acid, 1,1-dimethylethyl ester
| Molecular Formula | C11H20O2 |
|---|---|
| Molecular Weight | 184.15 g/mol |
| LogP | 3.0745 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 184.14633 |
| Heavy Atoms | 13 |
| Complexity | 192.62604 |
Chemical Identifiers
| CAS Number | 76871-78-8 |
|---|---|
| SMILES | CC(=CCCC(=O)OC(C)(C)C)C |
Product Overview
5-Methyl-4-hexenoic acid, 1,1-dimethylethyl ester (CAS 76871-78-8), with molecular formula C11H20O2 and molecular weight 184.15 g/mol. IUPAC: tert-butyl 5-methylhex-4-enoate.
Chemical Property Profile of 5-Methyl-4-hexenoic acid, 1,1-dimethylethyl ester
Property Insights of 5-Methyl-4-hexenoic acid, 1,1-dimethylethyl ester
The XLogP value of 3.0745 indicates that 5-Methyl-4-hexenoic acid, 1,1-dimethylethyl 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, 5-Methyl-4-hexenoic acid, 1,1-dimethylethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methyl-4-hexenoic acid, 1,1-dimethylethyl ester 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 5-Methyl-4-hexenoic acid, 1,1-dimethylethyl ester?
The CAS number of 5-Methyl-4-hexenoic acid, 1,1-dimethylethyl ester is 76871-78-8.
What is the molecular formula of 5-Methyl-4-hexenoic acid, 1,1-dimethylethyl ester?
The molecular formula of 5-Methyl-4-hexenoic acid, 1,1-dimethylethyl ester is C11H20O2.
What is the molecular weight of 5-Methyl-4-hexenoic acid, 1,1-dimethylethyl ester?
The molecular weight of 5-Methyl-4-hexenoic acid, 1,1-dimethylethyl ester is 184.15 g/mol.
Where can I buy 5-Methyl-4-hexenoic acid, 1,1-dimethylethyl ester?
You can request a quote for 5-Methyl-4-hexenoic acid, 1,1-dimethylethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methyl-4-hexenoic acid, 1,1-dimethylethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 5-Methyl-4-hexenoic acid, 1,1-dimethylethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.