4,4-Diethoxy-2-methylbut-1-ene
TL;DR: 4,4-Diethoxy-2-methylbut-1-ene (CAS 54340-95-3) is a chemical compound with molecular formula C9H18O2 and molecular weight 158.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4-diethoxy-2-methylbut-1-ene
Also Known As: 4,4-diethoxy-2-methylbut-1-ene, 1-Butene, 4,4-diethoxy-2-methyl-, 4,4-Diethoxy-2-methyl-1-butene, 2-Methyl-4,4-diethoxy-1-butene, 2-methyl-4,4-diethoxybut-1-ene
| Molecular Formula | C9H18O2 |
|---|---|
| Molecular Weight | 158.13 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 158.13068 |
| Heavy Atoms | 11 |
| Complexity | 104.0 |
Chemical Identifiers
| CAS Number | 54340-95-3 |
|---|---|
| SMILES | CCOC(CC(=C)C)OCC |
| InChIKey | QIACXWLIFNNZDL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,4-Diethoxy-2-methylbut-1-ene (CAS 54340-95-3), with molecular formula C9H18O2 and molecular weight 158.13 g/mol. IUPAC: 4,4-diethoxy-2-methylbut-1-ene.
Chemical Property Profile of 4,4-Diethoxy-2-methylbut-1-ene
Property Insights of 4,4-Diethoxy-2-methylbut-1-ene
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4-Diethoxy-2-methylbut-1-ene. With a topological polar surface area (TPSA) of 18.5 Ų, 4,4-Diethoxy-2-methylbut-1-ene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4-Diethoxy-2-methylbut-1-ene 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 4,4-Diethoxy-2-methylbut-1-ene?
The CAS number of 4,4-Diethoxy-2-methylbut-1-ene is 54340-95-3.
What is the molecular formula of 4,4-Diethoxy-2-methylbut-1-ene?
The molecular formula of 4,4-Diethoxy-2-methylbut-1-ene is C9H18O2.
What is the molecular weight of 4,4-Diethoxy-2-methylbut-1-ene?
The molecular weight of 4,4-Diethoxy-2-methylbut-1-ene is 158.13 g/mol.
Where can I buy 4,4-Diethoxy-2-methylbut-1-ene?
You can request a quote for 4,4-Diethoxy-2-methylbut-1-ene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4-Diethoxy-2-methylbut-1-ene?
Yes, KEHONG BIO provides custom synthesis services for 4,4-Diethoxy-2-methylbut-1-ene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.