Pentanal, 3-ethoxy-4-methyl-
TL;DR: Pentanal, 3-ethoxy-4-methyl- (CAS 68084-08-2) is a chemical compound with molecular formula C8H16O2 and molecular weight 144.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethoxy-4-methylpentanal
Also Known As: 3-Ethoxy-4-methylpentanal, Pentanal, 3-ethoxy-4-methyl-, 3-Ethoxy-4-methylvaleraldehyde, EINECS 268-420-9, RefChem:171412
| Molecular Formula | C8H16O2 |
|---|---|
| Molecular Weight | 144.12 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 144.11504 |
| Heavy Atoms | 10 |
| Complexity | 89.0 |
Chemical Identifiers
| CAS Number | 68084-08-2 |
|---|---|
| SMILES | CCOC(CC=O)C(C)C |
| InChIKey | BJRVNLMGJUBQLM-UHFFFAOYSA-N |
Product Overview
Pentanal, 3-ethoxy-4-methyl- (CAS 68084-08-2), with molecular formula C8H16O2 and molecular weight 144.12 g/mol. IUPAC: 3-ethoxy-4-methylpentanal.
Chemical Property Profile of Pentanal, 3-ethoxy-4-methyl-
Property Insights of Pentanal, 3-ethoxy-4-methyl-
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pentanal, 3-ethoxy-4-methyl-. With a topological polar surface area (TPSA) of 26.3 Ų, Pentanal, 3-ethoxy-4-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentanal, 3-ethoxy-4-methyl- 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 Pentanal, 3-ethoxy-4-methyl-?
The CAS number of Pentanal, 3-ethoxy-4-methyl- is 68084-08-2.
What is the molecular formula of Pentanal, 3-ethoxy-4-methyl-?
The molecular formula of Pentanal, 3-ethoxy-4-methyl- is C8H16O2.
What is the molecular weight of Pentanal, 3-ethoxy-4-methyl-?
The molecular weight of Pentanal, 3-ethoxy-4-methyl- is 144.12 g/mol.
Where can I buy Pentanal, 3-ethoxy-4-methyl-?
You can request a quote for Pentanal, 3-ethoxy-4-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentanal, 3-ethoxy-4-methyl-?
Yes, KEHONG BIO provides custom synthesis services for Pentanal, 3-ethoxy-4-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.