2,6-Dimethylocta-5,7-dien-2-yl acetate
TL;DR: 2,6-Dimethylocta-5,7-dien-2-yl acetate (CAS 72214-23-4) is a chemical compound with molecular formula C12H20O2 and molecular weight 196.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-dimethylocta-5,7-dien-2-yl acetate
Also Known As: Ocimenyl acetate, ocimen-1-yl acetate, 2,6-dimethylocta-5,7-dien-2-yl acetate, 7-acetoxy-3,7-dimethyl-octa-1,3-diene, 1,1,5-Trimethylhepta-4,6-dienyl acetate
| Molecular Formula | C12H20O2 |
|---|---|
| Molecular Weight | 196.15 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 196.14633 |
| Heavy Atoms | 14 |
| Complexity | 237.0 |
Chemical Identifiers
| CAS Number | 72214-23-4 |
|---|---|
| SMILES | CC(=CCCC(C)(C)OC(=O)C)C=C |
| InChIKey | JAVBVYXSVDXAQK-UHFFFAOYSA-N |
Product Overview
2,6-Dimethylocta-5,7-dien-2-yl acetate (CAS 72214-23-4), with molecular formula C12H20O2 and molecular weight 196.15 g/mol. IUPAC: 2,6-dimethylocta-5,7-dien-2-yl acetate.
Chemical Property Profile of 2,6-Dimethylocta-5,7-dien-2-yl acetate
Property Insights of 2,6-Dimethylocta-5,7-dien-2-yl acetate
The XLogP value of 3.5 indicates that 2,6-Dimethylocta-5,7-dien-2-yl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 2,6-Dimethylocta-5,7-dien-2-yl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6-Dimethylocta-5,7-dien-2-yl acetate 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 2,6-Dimethylocta-5,7-dien-2-yl acetate?
The CAS number of 2,6-Dimethylocta-5,7-dien-2-yl acetate is 72214-23-4.
What is the molecular formula of 2,6-Dimethylocta-5,7-dien-2-yl acetate?
The molecular formula of 2,6-Dimethylocta-5,7-dien-2-yl acetate is C12H20O2.
What is the molecular weight of 2,6-Dimethylocta-5,7-dien-2-yl acetate?
The molecular weight of 2,6-Dimethylocta-5,7-dien-2-yl acetate is 196.15 g/mol.
Where can I buy 2,6-Dimethylocta-5,7-dien-2-yl acetate?
You can request a quote for 2,6-Dimethylocta-5,7-dien-2-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-Dimethylocta-5,7-dien-2-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Dimethylocta-5,7-dien-2-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.