3,4-Dimethyloct-6-enyl 2-methylpropanoate
TL;DR: 3,4-Dimethyloct-6-enyl 2-methylpropanoate (CAS 94086-62-1) is a chemical compound with molecular formula C14H26O2 and molecular weight 226.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dimethyloct-6-enyl 2-methylpropanoate
Also Known As: 3,4-Dimethyloct-6-enyl isobutyrate, Citronellyl isobutyrate, (S)-, EINECS 301-850-8
| Molecular Formula | C14H26O2 |
|---|---|
| Molecular Weight | 226.19 g/mol |
| LogP | 3.8141 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 226.19328 |
| Heavy Atoms | 16 |
| Complexity | 218.77524 |
Chemical Identifiers
| CAS Number | 94086-62-1 |
|---|---|
| SMILES | CC=CCC(C)C(C)CCOC(=O)C(C)C |
Product Overview
3,4-Dimethyloct-6-enyl 2-methylpropanoate (CAS 94086-62-1), with molecular formula C14H26O2 and molecular weight 226.19 g/mol. IUPAC: 3,4-dimethyloct-6-enyl 2-methylpropanoate.
Chemical Property Profile of 3,4-Dimethyloct-6-enyl 2-methylpropanoate
Property Insights of 3,4-Dimethyloct-6-enyl 2-methylpropanoate
The XLogP value of 3.8141 indicates that 3,4-Dimethyloct-6-enyl 2-methylpropanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 3,4-Dimethyloct-6-enyl 2-methylpropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Dimethyloct-6-enyl 2-methylpropanoate 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 3,4-Dimethyloct-6-enyl 2-methylpropanoate?
The CAS number of 3,4-Dimethyloct-6-enyl 2-methylpropanoate is 94086-62-1.
What is the molecular formula of 3,4-Dimethyloct-6-enyl 2-methylpropanoate?
The molecular formula of 3,4-Dimethyloct-6-enyl 2-methylpropanoate is C14H26O2.
What is the molecular weight of 3,4-Dimethyloct-6-enyl 2-methylpropanoate?
The molecular weight of 3,4-Dimethyloct-6-enyl 2-methylpropanoate is 226.19 g/mol.
Where can I buy 3,4-Dimethyloct-6-enyl 2-methylpropanoate?
You can request a quote for 3,4-Dimethyloct-6-enyl 2-methylpropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Dimethyloct-6-enyl 2-methylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dimethyloct-6-enyl 2-methylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.