2,2,5,5-Tetramethyl-3-hexanone
TL;DR: 2,2,5,5-Tetramethyl-3-hexanone (CAS 868-91-7) 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.
2,2,5,5-tetramethylhexan-3-one
Also Known As: 2,2,5,5-Tetramethyl-3-hexanone, Neopentyl t-butyl ketone, 2,2,5,5-tetramethylhexan-3-one, 2,2,5,5-tetramethyl-hexan-3-one, RefChem:80890
| 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 | 3 |
| Exact Mass | 156.15141 |
| Heavy Atoms | 11 |
| Complexity | 143.0 |
Chemical Identifiers
| CAS Number | 868-91-7 |
|---|---|
| SMILES | CC(C)(C)CC(=O)C(C)(C)C |
| InChIKey | XUXJQANAPZHLMK-UHFFFAOYSA-N |
Product Overview
2,2,5,5-Tetramethyl-3-hexanone (CAS 868-91-7), with molecular formula C10H20O and molecular weight 156.15 g/mol. IUPAC: 2,2,5,5-tetramethylhexan-3-one.
Chemical Property Profile of 2,2,5,5-Tetramethyl-3-hexanone
Property Insights of 2,2,5,5-Tetramethyl-3-hexanone
The XLogP value of 3.0 indicates that 2,2,5,5-Tetramethyl-3-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, 2,2,5,5-Tetramethyl-3-hexanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,5,5-Tetramethyl-3-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 2,2,5,5-Tetramethyl-3-hexanone?
The CAS number of 2,2,5,5-Tetramethyl-3-hexanone is 868-91-7.
What is the molecular formula of 2,2,5,5-Tetramethyl-3-hexanone?
The molecular formula of 2,2,5,5-Tetramethyl-3-hexanone is C10H20O.
What is the molecular weight of 2,2,5,5-Tetramethyl-3-hexanone?
The molecular weight of 2,2,5,5-Tetramethyl-3-hexanone is 156.15 g/mol.
Where can I buy 2,2,5,5-Tetramethyl-3-hexanone?
You can request a quote for 2,2,5,5-Tetramethyl-3-hexanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2,5,5-Tetramethyl-3-hexanone?
Yes, KEHONG BIO provides custom synthesis services for 2,2,5,5-Tetramethyl-3-hexanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.