3-Ethyl-4-methyl-3-penten-2-one
TL;DR: 3-Ethyl-4-methyl-3-penten-2-one (CAS 22287-11-2) is a chemical compound with molecular formula C8H14O and molecular weight 126.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-4-methylpent-3-en-2-one
Also Known As: 3-ETHYL-4-METHYL-3-PENTEN-2-ONE, 3-ethyl-4-methylpent-3-en-2-one, 3-Penten-2-one, 3-ethyl-4-methyl-, 3-Penten-2-one,3-ethyl-4-methyl, 3-Ethyl-4-methyl-3-penten-2-one #
| Molecular Formula | C8H14O |
|---|---|
| Molecular Weight | 126.10 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 126.10446 |
| Heavy Atoms | 9 |
| Complexity | 139.0 |
Chemical Identifiers
| CAS Number | 22287-11-2 |
|---|---|
| SMILES | CCC(=C(C)C)C(=O)C |
| InChIKey | QXKSCXSNUNKWJA-UHFFFAOYSA-N |
Product Overview
3-Ethyl-4-methyl-3-penten-2-one (CAS 22287-11-2), with molecular formula C8H14O and molecular weight 126.10 g/mol. IUPAC: 3-ethyl-4-methylpent-3-en-2-one.
Chemical Property Profile of 3-Ethyl-4-methyl-3-penten-2-one
Property Insights of 3-Ethyl-4-methyl-3-penten-2-one
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Ethyl-4-methyl-3-penten-2-one. With a topological polar surface area (TPSA) of 17.1 Ų, 3-Ethyl-4-methyl-3-penten-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Ethyl-4-methyl-3-penten-2-one has 0 hydrogen bond donor(s) and 1 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-Ethyl-4-methyl-3-penten-2-one?
The CAS number of 3-Ethyl-4-methyl-3-penten-2-one is 22287-11-2.
What is the molecular formula of 3-Ethyl-4-methyl-3-penten-2-one?
The molecular formula of 3-Ethyl-4-methyl-3-penten-2-one is C8H14O.
What is the molecular weight of 3-Ethyl-4-methyl-3-penten-2-one?
The molecular weight of 3-Ethyl-4-methyl-3-penten-2-one is 126.10 g/mol.
Where can I buy 3-Ethyl-4-methyl-3-penten-2-one?
You can request a quote for 3-Ethyl-4-methyl-3-penten-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Ethyl-4-methyl-3-penten-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Ethyl-4-methyl-3-penten-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.