![3-[(3,7-二甲基-6-辛烯基)氧基]丙腈 structure](/static/products/5650/56505-01-2.webp)
3-[(3,7-二甲基-6-辛烯基)氧基]丙腈
TL;DR: 3-[(3,7-二甲基-6-辛烯基)氧基]丙腈 (CAS 56505-01-2) is a chemical compound with molecular formula C13H23NO and molecular weight 209.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3,7-二甲基-6-辛烯基)氧基]丙腈
3-(3,7-dimethyloct-6-enoxy)propanenitrile
Also Known As: 3-Citronellyloxy-propionitril, 3-((3,7-Dimethyl-6-octenyl)oxy)propiononitrile, 3-(3,7-dimethyloct-6-enoxy)propanenitrile, 3-[(3,7-DIMETHYL-6-OCTENYL)OXY]PROPIONONITRILE, 3-[(3,7-Dimethyl-6-octenyl)oxy]propanenitrile
| Molecular Formula | C13H23NO |
|---|---|
| Molecular Weight | 209.18 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 33.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 209.17796 |
| Heavy Atoms | 15 |
| Complexity | 220.0 |
Chemical Identifiers
| CAS Number | 56505-01-2 |
|---|---|
| SMILES | CC(CCC=C(C)C)CCOCCC#N |
| InChIKey | BHWFTJVWLOVCFK-UHFFFAOYSA-N |
Product Overview
3-[(3,7-二甲基-6-辛烯基)氧基]丙腈 (CAS 56505-01-2), with molecular formula C13H23NO and molecular weight 209.18 g/mol. IUPAC: 3-(3,7-dimethyloct-6-enoxy)propanenitrile.
Chemical Property Profile of 3-[(3,7-二甲基-6-辛烯基)氧基]丙腈
Property Insights of 3-[(3,7-二甲基-6-辛烯基)氧基]丙腈
The XLogP value of 3.4 indicates that 3-[(3,7-二甲基-6-辛烯基)氧基]丙腈 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-[(3,7-二甲基-6-辛烯基)氧基]丙腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(3,7-二甲基-6-辛烯基)氧基]丙腈 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-[(3,7-二甲基-6-辛烯基)氧基]丙腈?
The CAS number of 3-[(3,7-二甲基-6-辛烯基)氧基]丙腈 is 56505-01-2.
What is the molecular formula of 3-[(3,7-二甲基-6-辛烯基)氧基]丙腈?
The molecular formula of 3-[(3,7-二甲基-6-辛烯基)氧基]丙腈 is C13H23NO.
What is the molecular weight of 3-[(3,7-二甲基-6-辛烯基)氧基]丙腈?
The molecular weight of 3-[(3,7-二甲基-6-辛烯基)氧基]丙腈 is 209.18 g/mol.
Where can I buy 3-[(3,7-二甲基-6-辛烯基)氧基]丙腈?
You can request a quote for 3-[(3,7-二甲基-6-辛烯基)氧基]丙腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(3,7-二甲基-6-辛烯基)氧基]丙腈?
Yes, KEHONG BIO provides custom synthesis services for 3-[(3,7-二甲基-6-辛烯基)氧基]丙腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.