3-Isobutyl-5-methyl-2-hexanone
TL;DR: 3-Isobutyl-5-methyl-2-hexanone (CAS 40264-43-5) 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.
5-methyl-3-(2-methylpropyl)hexan-2-one
Also Known As: diisobutyl acetone, 1,1-Di(isobutyl)acetone, 3-Isobutyl-5-methyl-2-hexanone, 3-isobutyl-5-methylhexan-2-one, 5-methyl-3-(2-methylpropyl)hexan-2-one
| Molecular Formula | C11H22O |
|---|---|
| Molecular Weight | 170.17 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 170.16707 |
| Heavy Atoms | 12 |
| Complexity | 126.0 |
Chemical Identifiers
| CAS Number | 40264-43-5 |
|---|---|
| SMILES | CC(C)CC(CC(C)C)C(=O)C |
| InChIKey | QHWIAGPQYKXGQV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Isobutyl-5-methyl-2-hexanone (CAS 40264-43-5), with molecular formula C11H22O and molecular weight 170.17 g/mol. IUPAC: 5-methyl-3-(2-methylpropyl)hexan-2-one.
Chemical Property Profile of 3-Isobutyl-5-methyl-2-hexanone
Property Insights of 3-Isobutyl-5-methyl-2-hexanone
The XLogP value of 3.3 indicates that 3-Isobutyl-5-methyl-2-hexanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 3-Isobutyl-5-methyl-2-hexanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Isobutyl-5-methyl-2-hexanone 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-Isobutyl-5-methyl-2-hexanone?
The CAS number of 3-Isobutyl-5-methyl-2-hexanone is 40264-43-5.
What is the molecular formula of 3-Isobutyl-5-methyl-2-hexanone?
The molecular formula of 3-Isobutyl-5-methyl-2-hexanone is C11H22O.
What is the molecular weight of 3-Isobutyl-5-methyl-2-hexanone?
The molecular weight of 3-Isobutyl-5-methyl-2-hexanone is 170.17 g/mol.
Where can I buy 3-Isobutyl-5-methyl-2-hexanone?
You can request a quote for 3-Isobutyl-5-methyl-2-hexanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Isobutyl-5-methyl-2-hexanone?
Yes, KEHONG BIO provides custom synthesis services for 3-Isobutyl-5-methyl-2-hexanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.