Butanoic acid, 3-methyl-, (2E)-3,7-dimethyl-2,6-octadienyl ester
TL;DR: Butanoic acid, 3-methyl-, (2E)-3,7-dimethyl-2,6-octadienyl ester (CAS 109-20-6) 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 3-methylbutanoate
Also Known As: Geranyl isovalerate, Neryl isovalerate, Geranyl isopentanoate, Geranyl isovalerianate, Geranyl 3-methylbutanoate
| Molecular Formula | C15H26O2 |
|---|---|
| Molecular Weight | 238.19 g/mol |
| LogP | 4.7 |
| 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 | 281.0 |
Chemical Identifiers
| CAS Number | 109-20-6 |
|---|---|
| SMILES | CC(C)CC(=O)OCC=C(C)CCC=C(C)C |
| InChIKey | SOUKTGNMIRUIQN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butanoic acid, 3-methyl-, (2E)-3,7-dimethyl-2,6-octadienyl ester (CAS 109-20-6), with molecular formula C15H26O2 and molecular weight 238.19 g/mol. IUPAC: 3,7-dimethylocta-2,6-dienyl 3-methylbutanoate.
Chemical Property Profile of Butanoic acid, 3-methyl-, (2E)-3,7-dimethyl-2,6-octadienyl ester
Property Insights of Butanoic acid, 3-methyl-, (2E)-3,7-dimethyl-2,6-octadienyl ester
The XLogP value of 4.7 indicates that Butanoic acid, 3-methyl-, (2E)-3,7-dimethyl-2,6-octadienyl 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, Butanoic acid, 3-methyl-, (2E)-3,7-dimethyl-2,6-octadienyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butanoic acid, 3-methyl-, (2E)-3,7-dimethyl-2,6-octadienyl 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 Butanoic acid, 3-methyl-, (2E)-3,7-dimethyl-2,6-octadienyl ester?
The CAS number of Butanoic acid, 3-methyl-, (2E)-3,7-dimethyl-2,6-octadienyl ester is 109-20-6.
What is the molecular formula of Butanoic acid, 3-methyl-, (2E)-3,7-dimethyl-2,6-octadienyl ester?
The molecular formula of Butanoic acid, 3-methyl-, (2E)-3,7-dimethyl-2,6-octadienyl ester is C15H26O2.
What is the molecular weight of Butanoic acid, 3-methyl-, (2E)-3,7-dimethyl-2,6-octadienyl ester?
The molecular weight of Butanoic acid, 3-methyl-, (2E)-3,7-dimethyl-2,6-octadienyl ester is 238.19 g/mol.
Where can I buy Butanoic acid, 3-methyl-, (2E)-3,7-dimethyl-2,6-octadienyl ester?
You can request a quote for Butanoic acid, 3-methyl-, (2E)-3,7-dimethyl-2,6-octadienyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butanoic acid, 3-methyl-, (2E)-3,7-dimethyl-2,6-octadienyl ester?
Yes, KEHONG BIO provides custom synthesis services for Butanoic acid, 3-methyl-, (2E)-3,7-dimethyl-2,6-octadienyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.