3,7-Dimethyloct-2-EN-1-YL acetate
TL;DR: 3,7-Dimethyloct-2-EN-1-YL acetate (CAS 70795-76-5) 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.
3,7-dimethyloct-2-enyl acetate
Also Known As: 3,7-Dimethyloct-2-enyl acetate, EINECS 274-897-4, (E)-3,7-Dimethyloct-2-enyl acetate, 2-Octen-1-ol,3,7-dimethyl-, 1-acetate, 2-Octen-1-ol,3,7-dimethyl-,acetate,(E)
| Molecular Formula | C12H22O2 |
|---|---|
| Molecular Weight | 198.16 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 198.16199 |
| Heavy Atoms | 14 |
| Complexity | 192.0 |
Chemical Identifiers
| CAS Number | 70795-76-5 |
|---|---|
| SMILES | CC(C)CCCC(=CCOC(=O)C)C |
| InChIKey | LZLOAANJNAQPIH-UHFFFAOYSA-N |
Product Overview
3,7-Dimethyloct-2-EN-1-YL acetate (CAS 70795-76-5), with molecular formula C12H22O2 and molecular weight 198.16 g/mol. IUPAC: 3,7-dimethyloct-2-enyl acetate.
Chemical Property Profile of 3,7-Dimethyloct-2-EN-1-YL acetate
Property Insights of 3,7-Dimethyloct-2-EN-1-YL acetate
The XLogP value of 3.9 indicates that 3,7-Dimethyloct-2-EN-1-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, 3,7-Dimethyloct-2-EN-1-YL acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,7-Dimethyloct-2-EN-1-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 3,7-Dimethyloct-2-EN-1-YL acetate?
The CAS number of 3,7-Dimethyloct-2-EN-1-YL acetate is 70795-76-5.
What is the molecular formula of 3,7-Dimethyloct-2-EN-1-YL acetate?
The molecular formula of 3,7-Dimethyloct-2-EN-1-YL acetate is C12H22O2.
What is the molecular weight of 3,7-Dimethyloct-2-EN-1-YL acetate?
The molecular weight of 3,7-Dimethyloct-2-EN-1-YL acetate is 198.16 g/mol.
Where can I buy 3,7-Dimethyloct-2-EN-1-YL acetate?
You can request a quote for 3,7-Dimethyloct-2-EN-1-YL acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,7-Dimethyloct-2-EN-1-YL acetate?
Yes, KEHONG BIO provides custom synthesis services for 3,7-Dimethyloct-2-EN-1-YL acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.