![2-[(1S,3R)-3-acetyl-2,2-dimethylcyclobutyl]acetonitrile structure](/static/products/1314/131488-86-3.webp)
2-[(1S,3R)-3-acetyl-2,2-dimethylcyclobutyl]acetonitrile
TL;DR: 2-[(1S,3R)-3-acetyl-2,2-dimethylcyclobutyl]acetonitrile (CAS 131488-86-3) is a chemical compound with molecular formula C10H15NO and molecular weight 165.11537 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(1S,3R)-3-acetyl-2,2-dimethylcyclobutyl]acetonitrile
Also Known As: 2-[(1S,3R)-3-acetyl-2,2-dimethylcyclobutyl]acetonitrile, Cyclobutaneacetonitrile, 3-acetyl-2,2-dimethyl-, (1S-trans)- (9CI), [(1S,3R)-3-Acetyl-2,2-dimethylcyclobutyl]acetonitrile, Cyclobutaneacetonitrile, 3-acetyl-2,2-dimethyl-, (1S-trans)-
Technical Specifications
| Molecular Formula | C10H15NO |
| Molecular Weight | 165.11537 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 40.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 165.11537 Da |
| Heavy Atoms | 12 |
| Complexity | 246.0 |
| SMILES | CC(=O)[C@@H]1C[C@H](C1(C)C)CC#N |
| InChIKey | VILTYDDIGXXGBZ-BDAKNGLRSA-N |
Chemical Property Profile of 2-[(1S,3R)-3-acetyl-2,2-dimethylcyclobutyl]acetonitrile
Property Insights of 2-[(1S,3R)-3-acetyl-2,2-dimethylcyclobutyl]acetonitrile
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(1S,3R)-3-acetyl-2,2-dimethylcyclobutyl]acetonitrile. With a topological polar surface area (TPSA) of 40.9 Ų, 2-[(1S,3R)-3-acetyl-2,2-dimethylcyclobutyl]acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(1S,3R)-3-acetyl-2,2-dimethylcyclobutyl]acetonitrile 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 2-[(1S,3R)-3-acetyl-2,2-dimethylcyclobutyl]acetonitrile?
The CAS number of 2-[(1S,3R)-3-acetyl-2,2-dimethylcyclobutyl]acetonitrile is 131488-86-3.
What is the molecular formula of 2-[(1S,3R)-3-acetyl-2,2-dimethylcyclobutyl]acetonitrile?
The molecular formula of 2-[(1S,3R)-3-acetyl-2,2-dimethylcyclobutyl]acetonitrile is C10H15NO.
What is the molecular weight of 2-[(1S,3R)-3-acetyl-2,2-dimethylcyclobutyl]acetonitrile?
The molecular weight of 2-[(1S,3R)-3-acetyl-2,2-dimethylcyclobutyl]acetonitrile is 165.11537 g/mol.
Where can I buy 2-[(1S,3R)-3-acetyl-2,2-dimethylcyclobutyl]acetonitrile?
You can request a quote for 2-[(1S,3R)-3-acetyl-2,2-dimethylcyclobutyl]acetonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-[(1S,3R)-3-acetyl-2,2-dimethylcyclobutyl]acetonitrile?
Yes, CoreyChem provides custom synthesis services for 2-[(1S,3R)-3-acetyl-2,2-dimethylcyclobutyl]acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.