3,7-Dimethylocta-1,3,6-trien-1-yl acetate
TL;DR: 3,7-Dimethylocta-1,3,6-trien-1-yl acetate (CAS 62823-74-9) is a chemical compound with molecular formula C12H18O2 and molecular weight 194.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1E,3E)-3,7-dimethylocta-1,3,6-trienyl] acetate
Also Known As: EINECS 277-905-4, 3,7-Dimethylocta-1,3,6-trien-1-yl acetate, 3,7-Dimethyl-1,3,6-octatrienyl acetate, acetic acid,3,7-dimethylocta-1,3,6-trien-1-ol, 1,3,6-Octatrien-1-ol,3,7-dimethyl-, 1-acetate
| Molecular Formula | C12H18O2 |
|---|---|
| Molecular Weight | 194.13 g/mol |
| LogP | 3.3658 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 194.13068 |
| Heavy Atoms | 14 |
| Complexity | 266.04633 |
Chemical Identifiers
| CAS Number | 62823-74-9 |
|---|---|
| SMILES | CC(=CC/C=C(\C)/C=C/OC(=O)C)C |
Product Overview
3,7-Dimethylocta-1,3,6-trien-1-yl acetate (CAS 62823-74-9), with molecular formula C12H18O2 and molecular weight 194.13 g/mol. IUPAC: [(1E,3E)-3,7-dimethylocta-1,3,6-trienyl] acetate.
Chemical Property Profile of 3,7-Dimethylocta-1,3,6-trien-1-yl acetate
Property Insights of 3,7-Dimethylocta-1,3,6-trien-1-yl acetate
The XLogP value of 3.3658 indicates that 3,7-Dimethylocta-1,3,6-trien-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-Dimethylocta-1,3,6-trien-1-yl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,7-Dimethylocta-1,3,6-trien-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-Dimethylocta-1,3,6-trien-1-yl acetate?
The CAS number of 3,7-Dimethylocta-1,3,6-trien-1-yl acetate is 62823-74-9.
What is the molecular formula of 3,7-Dimethylocta-1,3,6-trien-1-yl acetate?
The molecular formula of 3,7-Dimethylocta-1,3,6-trien-1-yl acetate is C12H18O2.
What is the molecular weight of 3,7-Dimethylocta-1,3,6-trien-1-yl acetate?
The molecular weight of 3,7-Dimethylocta-1,3,6-trien-1-yl acetate is 194.13 g/mol.
Where can I buy 3,7-Dimethylocta-1,3,6-trien-1-yl acetate?
You can request a quote for 3,7-Dimethylocta-1,3,6-trien-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-Dimethylocta-1,3,6-trien-1-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 3,7-Dimethylocta-1,3,6-trien-1-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.