3,5,5-Trimethyl cyclohexanone
TL;DR: 3,5,5-Trimethyl cyclohexanone (CAS 33496-83-2) is a chemical compound with molecular formula C9H16O and molecular weight 140.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5S)-3,3,5-trimethylcyclohexan-1-one
Also Known As: 3,5,5-trimethyl cyclohexanone, (3S)-3,5,5-Trimethylcyclohexanone, (5S)-3,3,5-trimethylcyclohexan-1-one, (5S)-3,3,5-Trimethylcyclohexanone, 3,3,5alpha-Trimethylcyclohexan-1-one
| Molecular Formula | C9H16O |
|---|---|
| Molecular Weight | 140.12 g/mol |
| LogP | 2.4017 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 140.12012 |
| Heavy Atoms | 10 |
| Complexity | 146.80725 |
Chemical Identifiers
| CAS Number | 33496-83-2 |
|---|---|
| SMILES | C[C@@H]1CC(=O)CC(C1)(C)C |
Product Overview
3,5,5-Trimethyl cyclohexanone (CAS 33496-83-2), with molecular formula C9H16O and molecular weight 140.12 g/mol. IUPAC: (5S)-3,3,5-trimethylcyclohexan-1-one.
Chemical Property Profile of 3,5,5-Trimethyl cyclohexanone
Property Insights of 3,5,5-Trimethyl cyclohexanone
The XLogP value of 2.4017 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5,5-Trimethyl cyclohexanone. With a topological polar surface area (TPSA) of 17.07 Ų, 3,5,5-Trimethyl cyclohexanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5,5-Trimethyl cyclohexanone 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 3,5,5-Trimethyl cyclohexanone?
The CAS number of 3,5,5-Trimethyl cyclohexanone is 33496-83-2.
What is the molecular formula of 3,5,5-Trimethyl cyclohexanone?
The molecular formula of 3,5,5-Trimethyl cyclohexanone is C9H16O.
What is the molecular weight of 3,5,5-Trimethyl cyclohexanone?
The molecular weight of 3,5,5-Trimethyl cyclohexanone is 140.12 g/mol.
Where can I buy 3,5,5-Trimethyl cyclohexanone?
You can request a quote for 3,5,5-Trimethyl cyclohexanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5,5-Trimethyl cyclohexanone?
Yes, KEHONG BIO provides custom synthesis services for 3,5,5-Trimethyl cyclohexanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.