6-Octen-1-yn-3-ol, 3,7-dimethyl-, 3-acetate
TL;DR: 6-Octen-1-yn-3-ol, 3,7-dimethyl-, 3-acetate (CAS 29171-21-9) 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.
3,7-dimethyloct-6-en-1-yn-3-yl acetate
Also Known As: Dehydrolinalyl acetate, 3,7-Dimethyloct-6-en-1-yn-3-yl acetate, Dehydrolinalool acetate, 6-Octen-1-yn-3-ol, 3,7-dimethyl-, 3-acetate, 3,7-Dimethyl-6-octen-1-yn-3-ol, acetate
| Molecular Formula | C12H18O2 |
|---|---|
| Molecular Weight | 194.13 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 194.13068 |
| Heavy Atoms | 14 |
| Complexity | 276.0 |
Chemical Identifiers
| CAS Number | 29171-21-9 |
|---|---|
| SMILES | CC(=CCCC(C)(C#C)OC(=O)C)C |
| InChIKey | JNVHVDDAOGRVDT-UHFFFAOYSA-N |
Product Overview
6-Octen-1-yn-3-ol, 3,7-dimethyl-, 3-acetate (CAS 29171-21-9), with molecular formula C12H18O2 and molecular weight 194.13 g/mol. IUPAC: 3,7-dimethyloct-6-en-1-yn-3-yl acetate.
Chemical Property Profile of 6-Octen-1-yn-3-ol, 3,7-dimethyl-, 3-acetate
Property Insights of 6-Octen-1-yn-3-ol, 3,7-dimethyl-, 3-acetate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Octen-1-yn-3-ol, 3,7-dimethyl-, 3-acetate. With a topological polar surface area (TPSA) of 26.3 Ų, 6-Octen-1-yn-3-ol, 3,7-dimethyl-, 3-acetate 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-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 6-Octen-1-yn-3-ol, 3,7-dimethyl-, 3-acetate?
The CAS number of 6-Octen-1-yn-3-ol, 3,7-dimethyl-, 3-acetate is 29171-21-9.
What is the molecular formula of 6-Octen-1-yn-3-ol, 3,7-dimethyl-, 3-acetate?
The molecular formula of 6-Octen-1-yn-3-ol, 3,7-dimethyl-, 3-acetate is C12H18O2.
What is the molecular weight of 6-Octen-1-yn-3-ol, 3,7-dimethyl-, 3-acetate?
The molecular weight of 6-Octen-1-yn-3-ol, 3,7-dimethyl-, 3-acetate is 194.13 g/mol.
Where can I buy 6-Octen-1-yn-3-ol, 3,7-dimethyl-, 3-acetate?
You can request a quote for 6-Octen-1-yn-3-ol, 3,7-dimethyl-, 3-acetate 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-acetate?
Yes, KEHONG BIO provides custom synthesis services for 6-Octen-1-yn-3-ol, 3,7-dimethyl-, 3-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.