2-Methyl-2-hexen-1-yl butanoate
TL;DR: 2-Methyl-2-hexen-1-yl butanoate (CAS 84753-11-7) 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.
2-methylhex-2-enyl butanoate
Also Known As: 2-Methylhex-2-enyl butyrate, 2-methylhex-2-enyl butanoate, 2-Methyl-2-hexen-1-yl butanoate, EINECS 283-858-0, Butanoic acid, 2-methyl-2-hexenyl ester
| Molecular Formula | C11H20O2 |
|---|---|
| Molecular Weight | 184.15 g/mol |
| LogP | 3.0761 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 184.14633 |
| Heavy Atoms | 13 |
| Complexity | 170.9291 |
Chemical Identifiers
| CAS Number | 84753-11-7 |
|---|---|
| SMILES | CCCC=C(C)COC(=O)CCC |
Product Overview
2-Methyl-2-hexen-1-yl butanoate (CAS 84753-11-7), with molecular formula C11H20O2 and molecular weight 184.15 g/mol. IUPAC: 2-methylhex-2-enyl butanoate.
Chemical Property Profile of 2-Methyl-2-hexen-1-yl butanoate
Property Insights of 2-Methyl-2-hexen-1-yl butanoate
The XLogP value of 3.0761 indicates that 2-Methyl-2-hexen-1-yl butanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Methyl-2-hexen-1-yl butanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-2-hexen-1-yl butanoate 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-Methyl-2-hexen-1-yl butanoate?
The CAS number of 2-Methyl-2-hexen-1-yl butanoate is 84753-11-7.
What is the molecular formula of 2-Methyl-2-hexen-1-yl butanoate?
The molecular formula of 2-Methyl-2-hexen-1-yl butanoate is C11H20O2.
What is the molecular weight of 2-Methyl-2-hexen-1-yl butanoate?
The molecular weight of 2-Methyl-2-hexen-1-yl butanoate is 184.15 g/mol.
Where can I buy 2-Methyl-2-hexen-1-yl butanoate?
You can request a quote for 2-Methyl-2-hexen-1-yl butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-2-hexen-1-yl butanoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-2-hexen-1-yl butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.