![3-[(3,7-Dimethyl-2,6-octadienyl)oxy]propiononitrile structure](/static/products/5650/56505-03-4.webp)
3-[(3,7-Dimethyl-2,6-octadienyl)oxy]propiononitrile
TL;DR: 3-[(3,7-Dimethyl-2,6-octadienyl)oxy]propiononitrile (CAS 56505-03-4) is a chemical compound with molecular formula C13H21NO and molecular weight 207.16231 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(3,7-dimethylocta-2,6-dienoxy)propanenitrile
Also Known As: 3-Citronellyloxy-propionitril, 3-((3,7-Dimethyl-2,6-octadienyl)oxy)propiononitrile, 3-(3,7-dimethylocta-2,6-dienoxy)propanenitrile, 3-[(3,7-DIMETHYL-2,6-OCTADIENYL)OXY]PROPIONONITRILE, 3-[(3,7-Dimethyl-2,6-octadien-1-yl)oxy]propanenitrile
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C13H21NO |
| Molecular Weight | 207.16231 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 33.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 207.16231 Da |
| Heavy Atoms | 15 |
| Complexity | 264.0 |
| SMILES | CC(=CCCC(=CCOCCC#N)C)C |
| InChIKey | LHHLNYVTCLDRMJ-UHFFFAOYSA-N |
Chemical Property Profile of 3-[(3,7-Dimethyl-2,6-octadienyl)oxy]propiononitrile
Property Insights of 3-[(3,7-Dimethyl-2,6-octadienyl)oxy]propiononitrile
The XLogP value of 3.1 indicates that 3-[(3,7-Dimethyl-2,6-octadienyl)oxy]propiononitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.0 Ų, 3-[(3,7-Dimethyl-2,6-octadienyl)oxy]propiononitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(3,7-Dimethyl-2,6-octadienyl)oxy]propiononitrile 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
What is the CAS number of 3-[(3,7-Dimethyl-2,6-octadienyl)oxy]propiononitrile?
The CAS number of 3-[(3,7-Dimethyl-2,6-octadienyl)oxy]propiononitrile is 56505-03-4.
What is the molecular formula of 3-[(3,7-Dimethyl-2,6-octadienyl)oxy]propiononitrile?
The molecular formula of 3-[(3,7-Dimethyl-2,6-octadienyl)oxy]propiononitrile is C13H21NO.
What is the molecular weight of 3-[(3,7-Dimethyl-2,6-octadienyl)oxy]propiononitrile?
The molecular weight of 3-[(3,7-Dimethyl-2,6-octadienyl)oxy]propiononitrile is 207.16231 g/mol.
Where can I buy 3-[(3,7-Dimethyl-2,6-octadienyl)oxy]propiononitrile?
You can request a quote for 3-[(3,7-Dimethyl-2,6-octadienyl)oxy]propiononitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-[(3,7-Dimethyl-2,6-octadienyl)oxy]propiononitrile?
Yes, CoreyChem provides custom synthesis services for 3-[(3,7-Dimethyl-2,6-octadienyl)oxy]propiononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.