2,2,4-Trimethyl-3-penten-1-yl 2-methylpropanoate
TL;DR: 2,2,4-Trimethyl-3-penten-1-yl 2-methylpropanoate (CAS 3494-69-7) is a chemical compound with molecular formula C12H22O2 and molecular weight 198.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,4-trimethylpent-3-enyl 2-methylpropanoate
Also Known As: 2,2,4-Trimethylpentenyl 2-methylpropanoate, 2,2,4-Trimethylpent-3-enyl isobutyrate, 2,2,4-Trimethylpentenyl monoisobutyrate, 2,2,4-trimethylpent-3-enyl 2-methylpropanoate, 2,2,4-trimethylpent-3-en-1-yl2-methylpropanoate
| Molecular Formula | C12H22O2 |
|---|---|
| Molecular Weight | 198.16 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 198.16199 |
| Heavy Atoms | 14 |
| Complexity | 220.0 |
Chemical Identifiers
| CAS Number | 3494-69-7 |
|---|---|
| SMILES | CC(C)C(=O)OCC(C)(C)C=C(C)C |
| InChIKey | SVFCYIJQNSHBGU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2,4-Trimethyl-3-penten-1-yl 2-methylpropanoate (CAS 3494-69-7), with molecular formula C12H22O2 and molecular weight 198.16 g/mol. IUPAC: 2,2,4-trimethylpent-3-enyl 2-methylpropanoate.
Chemical Property Profile of 2,2,4-Trimethyl-3-penten-1-yl 2-methylpropanoate
Property Insights of 2,2,4-Trimethyl-3-penten-1-yl 2-methylpropanoate
The XLogP value of 4.0 indicates that 2,2,4-Trimethyl-3-penten-1-yl 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, 2,2,4-Trimethyl-3-penten-1-yl 2-methylpropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,4-Trimethyl-3-penten-1-yl 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 2,2,4-Trimethyl-3-penten-1-yl 2-methylpropanoate?
The CAS number of 2,2,4-Trimethyl-3-penten-1-yl 2-methylpropanoate is 3494-69-7.
What is the molecular formula of 2,2,4-Trimethyl-3-penten-1-yl 2-methylpropanoate?
The molecular formula of 2,2,4-Trimethyl-3-penten-1-yl 2-methylpropanoate is C12H22O2.
What is the molecular weight of 2,2,4-Trimethyl-3-penten-1-yl 2-methylpropanoate?
The molecular weight of 2,2,4-Trimethyl-3-penten-1-yl 2-methylpropanoate is 198.16 g/mol.
Where can I buy 2,2,4-Trimethyl-3-penten-1-yl 2-methylpropanoate?
You can request a quote for 2,2,4-Trimethyl-3-penten-1-yl 2-methylpropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2,4-Trimethyl-3-penten-1-yl 2-methylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for 2,2,4-Trimethyl-3-penten-1-yl 2-methylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.