3-hexanone, 2,5-dimethyl-(8ci)
TL;DR: 3-hexanone, 2,5-dimethyl-(8ci) (CAS 1888-57-9) is a chemical compound with molecular formula C8H16O and molecular weight 128.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-dimethylhexan-3-one
Also Known As: 2,5-DIMETHYL-3-HEXANONE, Isobutyl isopropyl ketone, 2,5-dimethylhexan-3-one, 3-Hexanone, 2,5-dimethyl-, 2,5Dimethyl3hexanone
| Molecular Formula | C8H16O |
|---|---|
| Molecular Weight | 128.12 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 128.12012 |
| Heavy Atoms | 9 |
| Complexity | 92.0 |
Chemical Identifiers
| CAS Number | 1888-57-9 |
|---|---|
| SMILES | CC(C)CC(=O)C(C)C |
| InChIKey | TUIWMHDSXJWXOH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-hexanone, 2,5-dimethyl-(8ci) (CAS 1888-57-9), with molecular formula C8H16O and molecular weight 128.12 g/mol. IUPAC: 2,5-dimethylhexan-3-one.
Chemical Property Profile of 3-hexanone, 2,5-dimethyl-(8ci)
Property Insights of 3-hexanone, 2,5-dimethyl-(8ci)
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-hexanone, 2,5-dimethyl-(8ci). With a topological polar surface area (TPSA) of 17.1 Ų, 3-hexanone, 2,5-dimethyl-(8ci) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-hexanone, 2,5-dimethyl-(8ci) 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-hexanone, 2,5-dimethyl-(8ci)?
The CAS number of 3-hexanone, 2,5-dimethyl-(8ci) is 1888-57-9.
What is the molecular formula of 3-hexanone, 2,5-dimethyl-(8ci)?
The molecular formula of 3-hexanone, 2,5-dimethyl-(8ci) is C8H16O.
What is the molecular weight of 3-hexanone, 2,5-dimethyl-(8ci)?
The molecular weight of 3-hexanone, 2,5-dimethyl-(8ci) is 128.12 g/mol.
Where can I buy 3-hexanone, 2,5-dimethyl-(8ci)?
You can request a quote for 3-hexanone, 2,5-dimethyl-(8ci) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-hexanone, 2,5-dimethyl-(8ci)?
Yes, KEHONG BIO provides custom synthesis services for 3-hexanone, 2,5-dimethyl-(8ci) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.