1,1-Diethoxypentane
TL;DR: 1,1-Diethoxypentane (CAS 3658-79-5) 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.
1,1-diethoxypentane
Also Known As: 1,1-Diethoxypentane, Pentane, 1,1-diethoxy-, Pentanal diethyl acetal, 1,1-diethoxy-pentan, VALERALDEHYDE-DIETHYLACETAL
| Molecular Formula | C9H20O2 |
|---|---|
| Molecular Weight | 160.15 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 160.14633 |
| Heavy Atoms | 11 |
| Complexity | 68.0 |
| Boiling Point | 163.00 °C. @ 760.00 mm Hg |
Chemical Identifiers
| CAS Number | 3658-79-5 |
|---|---|
| SMILES | CCCCC(OCC)OCC |
| InChIKey | XCWKYQWOLSOBCC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1-Diethoxypentane (CAS 3658-79-5), with molecular formula C9H20O2 and molecular weight 160.15 g/mol. IUPAC: 1,1-diethoxypentane.
Chemical Property Profile of 1,1-Diethoxypentane
Property Insights of 1,1-Diethoxypentane
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1-Diethoxypentane. With a topological polar surface area (TPSA) of 18.5 Ų, 1,1-Diethoxypentane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1-Diethoxypentane 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 1,1-Diethoxypentane?
The CAS number of 1,1-Diethoxypentane is 3658-79-5.
What is the molecular formula of 1,1-Diethoxypentane?
The molecular formula of 1,1-Diethoxypentane is C9H20O2.
What is the molecular weight of 1,1-Diethoxypentane?
The molecular weight of 1,1-Diethoxypentane is 160.15 g/mol.
Where can I buy 1,1-Diethoxypentane?
You can request a quote for 1,1-Diethoxypentane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1-Diethoxypentane?
Yes, KEHONG BIO provides custom synthesis services for 1,1-Diethoxypentane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.