Acrolein dimethyl acetal
TL;DR: Acrolein dimethyl acetal (CAS 6044-68-4) is a chemical compound with molecular formula C5H10O2 and molecular weight 102.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-dimethoxyprop-1-ene
Also Known As: Acrolein dimethyl acetal, 3,3-dimethoxyprop-1-ene, 3,3-Dimethoxypropene, acroleindimethylacetal, 3,3-Dimethoxy-1-propene
| Molecular Formula | C5H10O2 |
|---|---|
| Molecular Weight | 102.07 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 102.06808 |
| Heavy Atoms | 7 |
| Complexity | 48.0 |
| Vapor Pressure | 85.0 [mmHg] |
Chemical Identifiers
| CAS Number | 6044-68-4 |
|---|---|
| SMILES | COC(C=C)OC |
| InChIKey | OBWGMYALGNDUNM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Acrolein dimethyl acetal (CAS 6044-68-4), with molecular formula C5H10O2 and molecular weight 102.07 g/mol. IUPAC: 3,3-dimethoxyprop-1-ene.
Chemical Property Profile of Acrolein dimethyl acetal
Property Insights of Acrolein dimethyl acetal
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acrolein dimethyl acetal. With a topological polar surface area (TPSA) of 18.5 Ų, Acrolein dimethyl acetal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acrolein dimethyl acetal 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 Acrolein dimethyl acetal?
The CAS number of Acrolein dimethyl acetal is 6044-68-4.
What is the molecular formula of Acrolein dimethyl acetal?
The molecular formula of Acrolein dimethyl acetal is C5H10O2.
What is the molecular weight of Acrolein dimethyl acetal?
The molecular weight of Acrolein dimethyl acetal is 102.07 g/mol.
Where can I buy Acrolein dimethyl acetal?
You can request a quote for Acrolein dimethyl acetal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acrolein dimethyl acetal?
Yes, KEHONG BIO provides custom synthesis services for Acrolein dimethyl acetal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.