异戊醛二乙缩醛
TL;DR: 异戊醛二乙缩醛 (CAS 3842-03-3) is a chemical compound with molecular formula C9H20O2 and molecular weight 160.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
异戊醛二乙缩醛
1,1-diethoxy-3-methylbutane
Also Known As: 1,1-DIETHOXY-3-METHYLBUTANE, isovaleraldehyde diethyl acetal, Butane, 1,1-diethoxy-3-methyl-, isopentanal diethyl acetal, Isovaleraldehyde, diethyl acetal
| Molecular Formula | C9H20O2 |
|---|---|
| Molecular Weight | 160.15 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 160.14633 |
| Heavy Atoms | 11 |
| Complexity | 75.0 |
| Density | 0.825-0.832 |
| Solubility | Insoluble in water; soluble in organic solvents |
| Refractive Index | 1.395-1.403 |
Chemical Identifiers
| CAS Number | 3842-03-3 |
|---|---|
| SMILES | CCOC(CC(C)C)OCC |
| InChIKey | DDGBOLJFAMEBOE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
异戊醛二乙缩醛 (CAS 3842-03-3), with molecular formula C9H20O2 and molecular weight 160.15 g/mol. IUPAC: 1,1-diethoxy-3-methylbutane.
Chemical Property Profile of 异戊醛二乙缩醛
Property Insights of 异戊醛二乙缩醛
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 异戊醛二乙缩醛. With a topological polar surface area (TPSA) of 18.5 Ų, 异戊醛二乙缩醛 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 异戊醛二乙缩醛 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 异戊醛二乙缩醛?
The CAS number of 异戊醛二乙缩醛 is 3842-03-3.
What is the molecular formula of 异戊醛二乙缩醛?
The molecular formula of 异戊醛二乙缩醛 is C9H20O2.
What is the molecular weight of 异戊醛二乙缩醛?
The molecular weight of 异戊醛二乙缩醛 is 160.15 g/mol.
Where can I buy 异戊醛二乙缩醛?
You can request a quote for 异戊醛二乙缩醛 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 异戊醛二乙缩醛?
Yes, KEHONG BIO provides custom synthesis services for 异戊醛二乙缩醛 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.