3,7,11-Trimethyldodeca-6,10-dien-1-yn-3-yl acetate
TL;DR: 3,7,11-Trimethyldodeca-6,10-dien-1-yn-3-yl acetate (CAS 17958-06-4) is a chemical compound with molecular formula C17H26O2 and molecular weight 262.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(6E)-3,7,11-trimethyldodeca-6,10-dien-1-yn-3-yl] acetate
Also Known As: EINECS 282-824-2, 3,7,11-Trimethyldodeca-6,10-dien-1-yn-3-yl acetate, J2.124.824J, 3,7,11-trimethyldodeca-6,10-dien-1-yn-3-ylacetate, 6,10-Dodecadien-1-yn-3-ol, 3,7,11-trimethyl-, acetate
| Molecular Formula | C17H26O2 |
|---|---|
| Molecular Weight | 262.19 g/mol |
| LogP | 4.4143 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 262.19327 |
| Heavy Atoms | 19 |
| Complexity | 391.97534 |
Chemical Identifiers
| CAS Number | 17958-06-4 |
|---|---|
| SMILES | CC(=CCC/C(=C/CCC(C)(C#C)OC(=O)C)/C)C |
Product Overview
3,7,11-Trimethyldodeca-6,10-dien-1-yn-3-yl acetate (CAS 17958-06-4), with molecular formula C17H26O2 and molecular weight 262.19 g/mol. IUPAC: [(6E)-3,7,11-trimethyldodeca-6,10-dien-1-yn-3-yl] acetate.
Chemical Property Profile of 3,7,11-Trimethyldodeca-6,10-dien-1-yn-3-yl acetate
Property Insights of 3,7,11-Trimethyldodeca-6,10-dien-1-yn-3-yl acetate
The XLogP value of 4.4143 indicates that 3,7,11-Trimethyldodeca-6,10-dien-1-yn-3-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, 3,7,11-Trimethyldodeca-6,10-dien-1-yn-3-yl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,7,11-Trimethyldodeca-6,10-dien-1-yn-3-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 3,7,11-Trimethyldodeca-6,10-dien-1-yn-3-yl acetate?
The CAS number of 3,7,11-Trimethyldodeca-6,10-dien-1-yn-3-yl acetate is 17958-06-4.
What is the molecular formula of 3,7,11-Trimethyldodeca-6,10-dien-1-yn-3-yl acetate?
The molecular formula of 3,7,11-Trimethyldodeca-6,10-dien-1-yn-3-yl acetate is C17H26O2.
What is the molecular weight of 3,7,11-Trimethyldodeca-6,10-dien-1-yn-3-yl acetate?
The molecular weight of 3,7,11-Trimethyldodeca-6,10-dien-1-yn-3-yl acetate is 262.19 g/mol.
Where can I buy 3,7,11-Trimethyldodeca-6,10-dien-1-yn-3-yl acetate?
You can request a quote for 3,7,11-Trimethyldodeca-6,10-dien-1-yn-3-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,7,11-Trimethyldodeca-6,10-dien-1-yn-3-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 3,7,11-Trimethyldodeca-6,10-dien-1-yn-3-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.