Geranyl 2-methyl butyrate
TL;DR: Geranyl 2-methyl butyrate (CAS 68705-63-5) is a chemical compound with molecular formula C15H26O2 and molecular weight 238.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,7-dimethylocta-2,6-dienyl 2-methylbutanoate
Also Known As: Geranyl 2-methylbutyrate, Geranyl methylethylacetate, geranyl 2-methyl butyrate, (E)-3,7-Dimethylocta-2,6-dienyl 2-methylbutyrate, Butanoic acid, 2-methyl-, (2E)-3,7-dimethyl-2,6-octadienyl ester
| Molecular Formula | C15H26O2 |
|---|---|
| Molecular Weight | 238.19 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 238.19328 |
| Heavy Atoms | 17 |
| Complexity | 283.0 |
Chemical Identifiers
| CAS Number | 68705-63-5 |
|---|---|
| SMILES | CCC(C)C(=O)OCC=C(C)CCC=C(C)C |
| InChIKey | PEQMAZJTEUEQJP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Geranyl 2-methyl butyrate (CAS 68705-63-5), with molecular formula C15H26O2 and molecular weight 238.19 g/mol. IUPAC: 3,7-dimethylocta-2,6-dienyl 2-methylbutanoate.
Chemical Property Profile of Geranyl 2-methyl butyrate
Property Insights of Geranyl 2-methyl butyrate
The XLogP value of 4.9 indicates that Geranyl 2-methyl butyrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Geranyl 2-methyl butyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Geranyl 2-methyl butyrate 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 Geranyl 2-methyl butyrate?
The CAS number of Geranyl 2-methyl butyrate is 68705-63-5.
What is the molecular formula of Geranyl 2-methyl butyrate?
The molecular formula of Geranyl 2-methyl butyrate is C15H26O2.
What is the molecular weight of Geranyl 2-methyl butyrate?
The molecular weight of Geranyl 2-methyl butyrate is 238.19 g/mol.
Where can I buy Geranyl 2-methyl butyrate?
You can request a quote for Geranyl 2-methyl butyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Geranyl 2-methyl butyrate?
Yes, KEHONG BIO provides custom synthesis services for Geranyl 2-methyl butyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.