4,4-Dimeth-oxy-2-butene
TL;DR: 4,4-Dimeth-oxy-2-butene (CAS 21962-24-3) is a chemical compound with molecular formula C6H12O2 and molecular weight 116.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-dimethoxybut-2-ene
Also Known As: 1,1-Dimethoxybut-2-ene, Crotonaldehyde dimethyl acetal, 4,4-dimeth-oxy-2-butene, 2-BUTENE, 1,1-DIMETHOXY-, 2-Butene, 1,1-dimethoxy-, (2E)-
| Molecular Formula | C6H12O2 |
|---|---|
| Molecular Weight | 116.08 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 116.08373 |
| Heavy Atoms | 8 |
| Complexity | 64.0 |
Chemical Identifiers
| CAS Number | 21962-24-3 |
|---|---|
| SMILES | CC=CC(OC)OC |
| InChIKey | NOYRGONWBIVLEL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,4-Dimeth-oxy-2-butene (CAS 21962-24-3), with molecular formula C6H12O2 and molecular weight 116.08 g/mol. IUPAC: 1,1-dimethoxybut-2-ene.
Chemical Property Profile of 4,4-Dimeth-oxy-2-butene
Property Insights of 4,4-Dimeth-oxy-2-butene
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4-Dimeth-oxy-2-butene. With a topological polar surface area (TPSA) of 18.5 Ų, 4,4-Dimeth-oxy-2-butene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4-Dimeth-oxy-2-butene 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-Dimeth-oxy-2-butene?
The CAS number of 4,4-Dimeth-oxy-2-butene is 21962-24-3.
What is the molecular formula of 4,4-Dimeth-oxy-2-butene?
The molecular formula of 4,4-Dimeth-oxy-2-butene is C6H12O2.
What is the molecular weight of 4,4-Dimeth-oxy-2-butene?
The molecular weight of 4,4-Dimeth-oxy-2-butene is 116.08 g/mol.
Where can I buy 4,4-Dimeth-oxy-2-butene?
You can request a quote for 4,4-Dimeth-oxy-2-butene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4-Dimeth-oxy-2-butene?
Yes, KEHONG BIO provides custom synthesis services for 4,4-Dimeth-oxy-2-butene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.