3-((2-Methylpropan-2-yl)oxy)-2-((2-methylpropan-2-yl)oxymethyl)propanenitrile
TL;DR: 3-((2-Methylpropan-2-yl)oxy)-2-((2-methylpropan-2-yl)oxymethyl)propanenitrile (CAS 122881-71-4) is a chemical compound with molecular formula C12H23NO2 and molecular weight 213.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]propanenitrile
Also Known As: 3-tert-Butoxy-2-(tert-butoxymethyl)propanenitrile, 3-((2-Methylpropan-2-yl)oxy)-2-((2-methylpropan-2-yl)oxymethyl)propanenitrile, 3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]propanenitrile
| Molecular Formula | C12H23NO2 |
|---|---|
| Molecular Weight | 213.17 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 42.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 213.17288 |
| Heavy Atoms | 15 |
| Complexity | 208.0 |
Chemical Identifiers
| CAS Number | 122881-71-4 |
|---|---|
| SMILES | CC(C)(C)OCC(COC(C)(C)C)C#N |
| InChIKey | PTJRBAXZDXSVMK-UHFFFAOYSA-N |
Product Overview
3-((2-Methylpropan-2-yl)oxy)-2-((2-methylpropan-2-yl)oxymethyl)propanenitrile (CAS 122881-71-4), with molecular formula C12H23NO2 and molecular weight 213.17 g/mol. IUPAC: 3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]propanenitrile.
Chemical Property Profile of 3-((2-Methylpropan-2-yl)oxy)-2-((2-methylpropan-2-yl)oxymethyl)propanenitrile
Property Insights of 3-((2-Methylpropan-2-yl)oxy)-2-((2-methylpropan-2-yl)oxymethyl)propanenitrile
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-((2-Methylpropan-2-yl)oxy)-2-((2-methylpropan-2-yl)oxymethyl)propanenitrile. With a topological polar surface area (TPSA) of 42.3 Ų, 3-((2-Methylpropan-2-yl)oxy)-2-((2-methylpropan-2-yl)oxymethyl)propanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-((2-Methylpropan-2-yl)oxy)-2-((2-methylpropan-2-yl)oxymethyl)propanenitrile has 0 hydrogen bond donor(s) and 3 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-((2-Methylpropan-2-yl)oxy)-2-((2-methylpropan-2-yl)oxymethyl)propanenitrile?
The CAS number of 3-((2-Methylpropan-2-yl)oxy)-2-((2-methylpropan-2-yl)oxymethyl)propanenitrile is 122881-71-4.
What is the molecular formula of 3-((2-Methylpropan-2-yl)oxy)-2-((2-methylpropan-2-yl)oxymethyl)propanenitrile?
The molecular formula of 3-((2-Methylpropan-2-yl)oxy)-2-((2-methylpropan-2-yl)oxymethyl)propanenitrile is C12H23NO2.
What is the molecular weight of 3-((2-Methylpropan-2-yl)oxy)-2-((2-methylpropan-2-yl)oxymethyl)propanenitrile?
The molecular weight of 3-((2-Methylpropan-2-yl)oxy)-2-((2-methylpropan-2-yl)oxymethyl)propanenitrile is 213.17 g/mol.
Where can I buy 3-((2-Methylpropan-2-yl)oxy)-2-((2-methylpropan-2-yl)oxymethyl)propanenitrile?
You can request a quote for 3-((2-Methylpropan-2-yl)oxy)-2-((2-methylpropan-2-yl)oxymethyl)propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((2-Methylpropan-2-yl)oxy)-2-((2-methylpropan-2-yl)oxymethyl)propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-((2-Methylpropan-2-yl)oxy)-2-((2-methylpropan-2-yl)oxymethyl)propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.