2-异丁基-4-甲基-1,3-二氧戊环
TL;DR: 2-异丁基-4-甲基-1,3-二氧戊环 (CAS 18433-93-7) is a chemical compound with molecular formula C8H16O2 and molecular weight 144.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-异丁基-4-甲基-1,3-二氧戊环
4-methyl-2-(2-methylpropyl)-1,3-dioxolane
Also Known As: 2-Isobutyl-4-methyl-1,3-dioxolane, 4-methyl-2-(2-methylpropyl)-1,3-dioxolane, Isovaleraldehyde propylene glycol acetal, 1,3-Dioxolane, 4-methyl-2-(2-methylpropyl)-, Isovaleraldehyde propyleneglycol acetal
| Molecular Formula | C8H16O2 |
|---|---|
| Molecular Weight | 144.12 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 144.11504 |
| Heavy Atoms | 10 |
| Complexity | 101.0 |
| Density | 0.895-0.902 |
| Solubility | Insoluble in water; soluble in organic solvents |
| Refractive Index | 1.412-1.420 |
Chemical Identifiers
| CAS Number | 18433-93-7 |
|---|---|
| SMILES | CC1COC(O1)CC(C)C |
| InChIKey | PDVLTWPJDBXATJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-异丁基-4-甲基-1,3-二氧戊环 (CAS 18433-93-7), with molecular formula C8H16O2 and molecular weight 144.12 g/mol. IUPAC: 4-methyl-2-(2-methylpropyl)-1,3-dioxolane.
Chemical Property Profile of 2-异丁基-4-甲基-1,3-二氧戊环
Property Insights of 2-异丁基-4-甲基-1,3-二氧戊环
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-异丁基-4-甲基-1,3-二氧戊环. With a topological polar surface area (TPSA) of 18.5 Ų, 2-异丁基-4-甲基-1,3-二氧戊环 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-异丁基-4-甲基-1,3-二氧戊环 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-异丁基-4-甲基-1,3-二氧戊环?
The CAS number of 2-异丁基-4-甲基-1,3-二氧戊环 is 18433-93-7.
What is the molecular formula of 2-异丁基-4-甲基-1,3-二氧戊环?
The molecular formula of 2-异丁基-4-甲基-1,3-二氧戊环 is C8H16O2.
What is the molecular weight of 2-异丁基-4-甲基-1,3-二氧戊环?
The molecular weight of 2-异丁基-4-甲基-1,3-二氧戊环 is 144.12 g/mol.
Where can I buy 2-异丁基-4-甲基-1,3-二氧戊环?
You can request a quote for 2-异丁基-4-甲基-1,3-二氧戊环 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-异丁基-4-甲基-1,3-二氧戊环?
Yes, KEHONG BIO provides custom synthesis services for 2-异丁基-4-甲基-1,3-二氧戊环 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.