3-Methylbutyl 3,7-dimethylocta-2,6-dienoate
TL;DR: 3-Methylbutyl 3,7-dimethylocta-2,6-dienoate (CAS 68133-73-3) 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-methylbutyl 3,7-dimethylocta-2,6-dienoate
Also Known As: Isoamyl geranate
| Molecular Formula | C15H26O2 |
|---|---|
| Molecular Weight | 238.19 g/mol |
| LogP | 5.1 |
| 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 | 68133-73-3 |
|---|---|
| SMILES | CC(C)CCOC(=O)C=C(C)CCC=C(C)C |
| InChIKey | UYYJNVGFCCTXSK-UHFFFAOYSA-N |
Product Overview
3-Methylbutyl 3,7-dimethylocta-2,6-dienoate (CAS 68133-73-3), with molecular formula C15H26O2 and molecular weight 238.19 g/mol. IUPAC: 3-methylbutyl 3,7-dimethylocta-2,6-dienoate.
Chemical Property Profile of 3-Methylbutyl 3,7-dimethylocta-2,6-dienoate
Property Insights of 3-Methylbutyl 3,7-dimethylocta-2,6-dienoate
The XLogP value of 5.1 indicates that 3-Methylbutyl 3,7-dimethylocta-2,6-dienoate 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-Methylbutyl 3,7-dimethylocta-2,6-dienoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methylbutyl 3,7-dimethylocta-2,6-dienoate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Methylbutyl 3,7-dimethylocta-2,6-dienoate?
The CAS number of 3-Methylbutyl 3,7-dimethylocta-2,6-dienoate is 68133-73-3.
What is the molecular formula of 3-Methylbutyl 3,7-dimethylocta-2,6-dienoate?
The molecular formula of 3-Methylbutyl 3,7-dimethylocta-2,6-dienoate is C15H26O2.
What is the molecular weight of 3-Methylbutyl 3,7-dimethylocta-2,6-dienoate?
The molecular weight of 3-Methylbutyl 3,7-dimethylocta-2,6-dienoate is 238.19 g/mol.
Where can I buy 3-Methylbutyl 3,7-dimethylocta-2,6-dienoate?
You can request a quote for 3-Methylbutyl 3,7-dimethylocta-2,6-dienoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methylbutyl 3,7-dimethylocta-2,6-dienoate?
Yes, KEHONG BIO provides custom synthesis services for 3-Methylbutyl 3,7-dimethylocta-2,6-dienoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.