1-t-Butyl-2-hexanone
TL;DR: 1-t-Butyl-2-hexanone (CAS 22319-52-4) is a chemical compound with molecular formula C10H20O and molecular weight 156.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethyloctan-4-one
Also Known As: 1-t-Butyl-2-hexanone, 2,2-dimethyloctan-4-one, 2,2-Dimethyl-4-octanone, 2,2-dimethyl-octan-4-one, 2,2-Dimethyl-4-octanone #
| Molecular Formula | C10H20O |
|---|---|
| Molecular Weight | 156.15 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 156.15141 |
| Heavy Atoms | 11 |
| Complexity | 119.0 |
Chemical Identifiers
| CAS Number | 22319-52-4 |
|---|---|
| SMILES | CCCCC(=O)CC(C)(C)C |
| InChIKey | JAODHAABODLKEG-UHFFFAOYSA-N |
Product Overview
1-t-Butyl-2-hexanone (CAS 22319-52-4), with molecular formula C10H20O and molecular weight 156.15 g/mol. IUPAC: 2,2-dimethyloctan-4-one.
Chemical Property Profile of 1-t-Butyl-2-hexanone
Property Insights of 1-t-Butyl-2-hexanone
The XLogP value of 3.0 indicates that 1-t-Butyl-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, 1-t-Butyl-2-hexanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-t-Butyl-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 1-t-Butyl-2-hexanone?
The CAS number of 1-t-Butyl-2-hexanone is 22319-52-4.
What is the molecular formula of 1-t-Butyl-2-hexanone?
The molecular formula of 1-t-Butyl-2-hexanone is C10H20O.
What is the molecular weight of 1-t-Butyl-2-hexanone?
The molecular weight of 1-t-Butyl-2-hexanone is 156.15 g/mol.
Where can I buy 1-t-Butyl-2-hexanone?
You can request a quote for 1-t-Butyl-2-hexanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-t-Butyl-2-hexanone?
Yes, KEHONG BIO provides custom synthesis services for 1-t-Butyl-2-hexanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.