6-Octen-1-yn-3-ol, 3,7-dimethyl-, 3-propanoate
TL;DR: 6-Octen-1-yn-3-ol, 3,7-dimethyl-, 3-propanoate (CAS 65416-30-0) is a chemical compound with molecular formula C13H20O2 and molecular weight 208.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,7-dimethyloct-6-en-1-yn-3-yl propanoate
Also Known As: 3,7-dimethyloct-6-en-1-yn-3-yl propionate, 6-Octen-1-yn-3-ol, 3,7-dimethyl-, 3-propanoate, 6-Octen-1-yn-3-ol, 3,7-dimethyl-, propanoate, 3,7-dimethyloct-6-en-1-yn-3-yl propanoate, 3,7-Dimethyl-6-octen-1-yn-3-ol propanoate
| Molecular Formula | C13H20O2 |
|---|---|
| Molecular Weight | 208.15 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 208.14633 |
| Heavy Atoms | 15 |
| Complexity | 289.0 |
Chemical Identifiers
| CAS Number | 65416-30-0 |
|---|---|
| SMILES | CCC(=O)OC(C)(CCC=C(C)C)C#C |
| InChIKey | VFZVKWGNULCLCW-UHFFFAOYSA-N |
Product Overview
6-Octen-1-yn-3-ol, 3,7-dimethyl-, 3-propanoate (CAS 65416-30-0), with molecular formula C13H20O2 and molecular weight 208.15 g/mol. IUPAC: 3,7-dimethyloct-6-en-1-yn-3-yl propanoate.
Chemical Property Profile of 6-Octen-1-yn-3-ol, 3,7-dimethyl-, 3-propanoate
Property Insights of 6-Octen-1-yn-3-ol, 3,7-dimethyl-, 3-propanoate
The XLogP value of 3.2 indicates that 6-Octen-1-yn-3-ol, 3,7-dimethyl-, 3-propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 6-Octen-1-yn-3-ol, 3,7-dimethyl-, 3-propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Octen-1-yn-3-ol, 3,7-dimethyl-, 3-propanoate 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 6-Octen-1-yn-3-ol, 3,7-dimethyl-, 3-propanoate?
The CAS number of 6-Octen-1-yn-3-ol, 3,7-dimethyl-, 3-propanoate is 65416-30-0.
What is the molecular formula of 6-Octen-1-yn-3-ol, 3,7-dimethyl-, 3-propanoate?
The molecular formula of 6-Octen-1-yn-3-ol, 3,7-dimethyl-, 3-propanoate is C13H20O2.
What is the molecular weight of 6-Octen-1-yn-3-ol, 3,7-dimethyl-, 3-propanoate?
The molecular weight of 6-Octen-1-yn-3-ol, 3,7-dimethyl-, 3-propanoate is 208.15 g/mol.
Where can I buy 6-Octen-1-yn-3-ol, 3,7-dimethyl-, 3-propanoate?
You can request a quote for 6-Octen-1-yn-3-ol, 3,7-dimethyl-, 3-propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Octen-1-yn-3-ol, 3,7-dimethyl-, 3-propanoate?
Yes, KEHONG BIO provides custom synthesis services for 6-Octen-1-yn-3-ol, 3,7-dimethyl-, 3-propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.