(E)-3-(2-methylpropoxy)prop-2-enal
TL;DR: (E)-3-(2-methylpropoxy)prop-2-enal (CAS 89174-55-0) is a chemical compound with molecular formula C7H12O2 and molecular weight 128.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(2-methylpropoxy)prop-2-enal
Also Known As: 3-Isobutoxyacrolein, 3-Isobutoxyacrylaldehyde, (E)-3-(2-methylpropoxy)prop-2-enal, 3-(2-METHYLPROPOXY)PROP-2-ENAL
| Molecular Formula | C7H12O2 |
|---|---|
| Molecular Weight | 128.08 g/mol |
| LogP | 1.3716 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 128.08372 |
| Heavy Atoms | 9 |
| Complexity | 95.08927 |
Chemical Identifiers
| CAS Number | 89174-55-0 |
|---|---|
| SMILES | CC(C)CO/C=C/C=O |
Product Overview
(E)-3-(2-methylpropoxy)prop-2-enal (CAS 89174-55-0), with molecular formula C7H12O2 and molecular weight 128.08 g/mol. IUPAC: (E)-3-(2-methylpropoxy)prop-2-enal.
Chemical Property Profile of (E)-3-(2-methylpropoxy)prop-2-enal
Property Insights of (E)-3-(2-methylpropoxy)prop-2-enal
The XLogP value of 1.3716 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-3-(2-methylpropoxy)prop-2-enal. With a topological polar surface area (TPSA) of 26.3 Ų, (E)-3-(2-methylpropoxy)prop-2-enal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-3-(2-methylpropoxy)prop-2-enal 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 (E)-3-(2-methylpropoxy)prop-2-enal?
The CAS number of (E)-3-(2-methylpropoxy)prop-2-enal is 89174-55-0.
What is the molecular formula of (E)-3-(2-methylpropoxy)prop-2-enal?
The molecular formula of (E)-3-(2-methylpropoxy)prop-2-enal is C7H12O2.
What is the molecular weight of (E)-3-(2-methylpropoxy)prop-2-enal?
The molecular weight of (E)-3-(2-methylpropoxy)prop-2-enal is 128.08 g/mol.
Where can I buy (E)-3-(2-methylpropoxy)prop-2-enal?
You can request a quote for (E)-3-(2-methylpropoxy)prop-2-enal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-3-(2-methylpropoxy)prop-2-enal?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-(2-methylpropoxy)prop-2-enal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.