3,3,5-Trimethyl-5-vinylcyclohexanone
TL;DR: 3,3,5-Trimethyl-5-vinylcyclohexanone (CAS 27749-07-1) is a chemical compound with molecular formula C11H18O and molecular weight 166.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethenyl-3,5,5-trimethylcyclohexan-1-one
Also Known As: 3,3,5-Trimethyl-5-vinylcyclohexanone, 3,5,5-trimethyl-3-vinylcyclohexanone, 3-ethenyl-3,5,5-trimethylcyclohexan-1-one, 3,3,5-Trimethyl-5-vinylcyclohexanone #, 1-Cyclohexanone, 3,5,5-trimethyl-3-vinyl-
| Molecular Formula | C11H18O |
|---|---|
| Molecular Weight | 166.14 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 166.13577 |
| Heavy Atoms | 12 |
| Complexity | 215.0 |
Chemical Identifiers
| CAS Number | 27749-07-1 |
|---|---|
| SMILES | CC1(CC(=O)CC(C1)(C)C=C)C |
| InChIKey | AZSYSENNSFSBSP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,3,5-Trimethyl-5-vinylcyclohexanone (CAS 27749-07-1), with molecular formula C11H18O and molecular weight 166.14 g/mol. IUPAC: 3-ethenyl-3,5,5-trimethylcyclohexan-1-one.
Chemical Property Profile of 3,3,5-Trimethyl-5-vinylcyclohexanone
Property Insights of 3,3,5-Trimethyl-5-vinylcyclohexanone
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3,5-Trimethyl-5-vinylcyclohexanone. With a topological polar surface area (TPSA) of 17.1 Ų, 3,3,5-Trimethyl-5-vinylcyclohexanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3,5-Trimethyl-5-vinylcyclohexanone 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 3,3,5-Trimethyl-5-vinylcyclohexanone?
The CAS number of 3,3,5-Trimethyl-5-vinylcyclohexanone is 27749-07-1.
What is the molecular formula of 3,3,5-Trimethyl-5-vinylcyclohexanone?
The molecular formula of 3,3,5-Trimethyl-5-vinylcyclohexanone is C11H18O.
What is the molecular weight of 3,3,5-Trimethyl-5-vinylcyclohexanone?
The molecular weight of 3,3,5-Trimethyl-5-vinylcyclohexanone is 166.14 g/mol.
Where can I buy 3,3,5-Trimethyl-5-vinylcyclohexanone?
You can request a quote for 3,3,5-Trimethyl-5-vinylcyclohexanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3,5-Trimethyl-5-vinylcyclohexanone?
Yes, KEHONG BIO provides custom synthesis services for 3,3,5-Trimethyl-5-vinylcyclohexanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.