2-(4-isopentyl-2,2-dimethyltetrahydro-2H-pyran-4-yl)acetonitrile
TL;DR: 2-(4-isopentyl-2,2-dimethyltetrahydro-2H-pyran-4-yl)acetonitrile (CAS 858748-98-8) is a chemical compound with molecular formula C14H25NO and molecular weight 223.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]acetonitrile
Also Known As: 2-[2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]acetonitrile, 2-(4-isopentyl-2,2-dimethyltetrahydro-2H-pyran-4-yl)acetonitrile, [2,2-dimethyl-4-(3-methylbutyl)tetrahydro-2H-pyran-4-yl]acetonitrile
| Molecular Formula | C14H25NO |
|---|---|
| Molecular Weight | 223.19 g/mol |
| LogP | 3.91168 |
| Topological Polar Surface Area | 33.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 223.19362 |
| Heavy Atoms | 16 |
| Complexity | 264.39914 |
Chemical Identifiers
| CAS Number | 858748-98-8 |
|---|---|
| SMILES | CC(C)CCC1(CCOC(C1)(C)C)CC#N |
Product Overview
2-(4-isopentyl-2,2-dimethyltetrahydro-2H-pyran-4-yl)acetonitrile (CAS 858748-98-8), with molecular formula C14H25NO and molecular weight 223.19 g/mol. IUPAC: 2-[2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]acetonitrile.
Chemical Property Profile of 2-(4-isopentyl-2,2-dimethyltetrahydro-2H-pyran-4-yl)acetonitrile
Property Insights of 2-(4-isopentyl-2,2-dimethyltetrahydro-2H-pyran-4-yl)acetonitrile
The XLogP value of 3.91168 indicates that 2-(4-isopentyl-2,2-dimethyltetrahydro-2H-pyran-4-yl)acetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.02 Ų, 2-(4-isopentyl-2,2-dimethyltetrahydro-2H-pyran-4-yl)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-isopentyl-2,2-dimethyltetrahydro-2H-pyran-4-yl)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
Frequently Asked Questions
What is the CAS number of 2-(4-isopentyl-2,2-dimethyltetrahydro-2H-pyran-4-yl)acetonitrile?
The CAS number of 2-(4-isopentyl-2,2-dimethyltetrahydro-2H-pyran-4-yl)acetonitrile is 858748-98-8.
What is the molecular formula of 2-(4-isopentyl-2,2-dimethyltetrahydro-2H-pyran-4-yl)acetonitrile?
The molecular formula of 2-(4-isopentyl-2,2-dimethyltetrahydro-2H-pyran-4-yl)acetonitrile is C14H25NO.
What is the molecular weight of 2-(4-isopentyl-2,2-dimethyltetrahydro-2H-pyran-4-yl)acetonitrile?
The molecular weight of 2-(4-isopentyl-2,2-dimethyltetrahydro-2H-pyran-4-yl)acetonitrile is 223.19 g/mol.
Where can I buy 2-(4-isopentyl-2,2-dimethyltetrahydro-2H-pyran-4-yl)acetonitrile?
You can request a quote for 2-(4-isopentyl-2,2-dimethyltetrahydro-2H-pyran-4-yl)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-isopentyl-2,2-dimethyltetrahydro-2H-pyran-4-yl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-isopentyl-2,2-dimethyltetrahydro-2H-pyran-4-yl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.