3-Hydroxy-3,4,4-trimethylpentan-2-one
TL;DR: 3-Hydroxy-3,4,4-trimethylpentan-2-one (CAS 6196-59-4) is a chemical compound with molecular formula C8H16O2 and molecular weight 144.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hydroxy-3,4,4-trimethylpentan-2-one
Also Known As: 3-hydroxy-3,4,4-trimethylpentan-2-one, 3-hydroxy-3,4,4-trimethyl-pentan-2-one
| Molecular Formula | C8H16O2 |
|---|---|
| Molecular Weight | 144.12 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 144.11504 |
| Heavy Atoms | 10 |
| Complexity | 144.0 |
Chemical Identifiers
| CAS Number | 6196-59-4 |
|---|---|
| SMILES | CC(=O)C(C)(C(C)(C)C)O |
| InChIKey | LNZWAKZTVCIJRH-UHFFFAOYSA-N |
Product Overview
3-Hydroxy-3,4,4-trimethylpentan-2-one (CAS 6196-59-4), with molecular formula C8H16O2 and molecular weight 144.12 g/mol. IUPAC: 3-hydroxy-3,4,4-trimethylpentan-2-one.
Chemical Property Profile of 3-Hydroxy-3,4,4-trimethylpentan-2-one
Property Insights of 3-Hydroxy-3,4,4-trimethylpentan-2-one
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Hydroxy-3,4,4-trimethylpentan-2-one. With a topological polar surface area (TPSA) of 37.3 Ų, 3-Hydroxy-3,4,4-trimethylpentan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Hydroxy-3,4,4-trimethylpentan-2-one has 1 hydrogen bond donor(s) and 2 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-Hydroxy-3,4,4-trimethylpentan-2-one?
The CAS number of 3-Hydroxy-3,4,4-trimethylpentan-2-one is 6196-59-4.
What is the molecular formula of 3-Hydroxy-3,4,4-trimethylpentan-2-one?
The molecular formula of 3-Hydroxy-3,4,4-trimethylpentan-2-one is C8H16O2.
What is the molecular weight of 3-Hydroxy-3,4,4-trimethylpentan-2-one?
The molecular weight of 3-Hydroxy-3,4,4-trimethylpentan-2-one is 144.12 g/mol.
Where can I buy 3-Hydroxy-3,4,4-trimethylpentan-2-one?
You can request a quote for 3-Hydroxy-3,4,4-trimethylpentan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hydroxy-3,4,4-trimethylpentan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxy-3,4,4-trimethylpentan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.