Diisoamyl ketone
TL;DR: Diisoamyl ketone (CAS 2050-99-9) is a chemical compound with molecular formula C11H22O and molecular weight 170.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,8-dimethylnonan-5-one
Also Known As: 2,8-Dimethylnonan-5-one, 2,8-Dimethyl-5-nonanone, DIISOAMYL KETONE, Isocaprone, isoamyl ketone
| Molecular Formula | C11H22O |
|---|---|
| Molecular Weight | 170.17 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 170.16707 |
| Heavy Atoms | 12 |
| Complexity | 111.0 |
Chemical Identifiers
| CAS Number | 2050-99-9 |
|---|---|
| SMILES | CC(C)CCC(=O)CCC(C)C |
| InChIKey | JQCWLRHNAHIIGW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diisoamyl ketone (CAS 2050-99-9), with molecular formula C11H22O and molecular weight 170.17 g/mol. IUPAC: 2,8-dimethylnonan-5-one.
Chemical Property Profile of Diisoamyl ketone
Property Insights of Diisoamyl ketone
The XLogP value of 3.2 indicates that Diisoamyl ketone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, Diisoamyl ketone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diisoamyl ketone 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 Diisoamyl ketone?
The CAS number of Diisoamyl ketone is 2050-99-9.
What is the molecular formula of Diisoamyl ketone?
The molecular formula of Diisoamyl ketone is C11H22O.
What is the molecular weight of Diisoamyl ketone?
The molecular weight of Diisoamyl ketone is 170.17 g/mol.
Where can I buy Diisoamyl ketone?
You can request a quote for Diisoamyl ketone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diisoamyl ketone?
Yes, KEHONG BIO provides custom synthesis services for Diisoamyl ketone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.