2-Octen-4-one, 2-methyl-
TL;DR: 2-Octen-4-one, 2-methyl- (CAS 19860-71-0) is a chemical compound with molecular formula C9H16O and molecular weight 140.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyloct-2-en-4-one
Also Known As: 2-methyloct-2-en-4-one, 2-Octen-4-one, 2-methyl-, Butyl 2-methyl-1-propenyl ketone, 2-methyl-oct-2-en-4-one, 2-METHYL-2-OCTEN-4-ONE
| Molecular Formula | C9H16O |
|---|---|
| Molecular Weight | 140.12 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 140.12012 |
| Heavy Atoms | 10 |
| Complexity | 130.0 |
Chemical Identifiers
| CAS Number | 19860-71-0 |
|---|---|
| SMILES | CCCCC(=O)C=C(C)C |
| InChIKey | XKTQVJODAZKGGU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Octen-4-one, 2-methyl- (CAS 19860-71-0), with molecular formula C9H16O and molecular weight 140.12 g/mol. IUPAC: 2-methyloct-2-en-4-one.
Chemical Property Profile of 2-Octen-4-one, 2-methyl-
Property Insights of 2-Octen-4-one, 2-methyl-
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Octen-4-one, 2-methyl-. With a topological polar surface area (TPSA) of 17.1 Ų, 2-Octen-4-one, 2-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Octen-4-one, 2-methyl- 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 2-Octen-4-one, 2-methyl-?
The CAS number of 2-Octen-4-one, 2-methyl- is 19860-71-0.
What is the molecular formula of 2-Octen-4-one, 2-methyl-?
The molecular formula of 2-Octen-4-one, 2-methyl- is C9H16O.
What is the molecular weight of 2-Octen-4-one, 2-methyl-?
The molecular weight of 2-Octen-4-one, 2-methyl- is 140.12 g/mol.
Where can I buy 2-Octen-4-one, 2-methyl-?
You can request a quote for 2-Octen-4-one, 2-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Octen-4-one, 2-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 2-Octen-4-one, 2-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.