3,3-Diethoxy-1-propene
TL;DR: 3,3-Diethoxy-1-propene (CAS 3054-95-3) is a chemical compound with molecular formula C7H14O2 and molecular weight 130.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-diethoxyprop-1-ene
Also Known As: Acrolein diethyl acetal, Acrolein diethylacetal, Acrolein acetal, 3,3-diethoxyprop-1-ene, 3,3-Diethoxy-1-propene
| Molecular Formula | C7H14O2 |
|---|---|
| Molecular Weight | 130.10 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 130.09938 |
| Heavy Atoms | 9 |
| Complexity | 65.0 |
Chemical Identifiers
| CAS Number | 3054-95-3 |
|---|---|
| SMILES | CCOC(C=C)OCC |
| InChIKey | MCIPQLOKVXSHTD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,3-Diethoxy-1-propene (CAS 3054-95-3), with molecular formula C7H14O2 and molecular weight 130.10 g/mol. IUPAC: 3,3-diethoxyprop-1-ene.
Chemical Property Profile of 3,3-Diethoxy-1-propene
Property Insights of 3,3-Diethoxy-1-propene
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3-Diethoxy-1-propene. With a topological polar surface area (TPSA) of 18.5 Ų, 3,3-Diethoxy-1-propene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3-Diethoxy-1-propene 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 3,3-Diethoxy-1-propene?
The CAS number of 3,3-Diethoxy-1-propene is 3054-95-3.
What is the molecular formula of 3,3-Diethoxy-1-propene?
The molecular formula of 3,3-Diethoxy-1-propene is C7H14O2.
What is the molecular weight of 3,3-Diethoxy-1-propene?
The molecular weight of 3,3-Diethoxy-1-propene is 130.10 g/mol.
Where can I buy 3,3-Diethoxy-1-propene?
You can request a quote for 3,3-Diethoxy-1-propene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3-Diethoxy-1-propene?
Yes, KEHONG BIO provides custom synthesis services for 3,3-Diethoxy-1-propene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.