4,4-Dimethyl-2-allylcyclohexanone
TL;DR: 4,4-Dimethyl-2-allylcyclohexanone (CAS 59077-96-2) 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.
4,4-dimethyl-2-prop-2-enylcyclohexan-1-one
Also Known As: 4,4-Dimethyl-2-allylcyclohexanone, 2-Allyl-4,4-dimethylcyclohexanone, 2-allyl-4,4-dimethyl-1-cyclohexanone, 2-Allyl-4,4-dimethylcyclohexanone #, 4,4-dimethyl-2-prop-2-enylcyclohexan-1-one
| Molecular Formula | C11H18O |
|---|---|
| Molecular Weight | 166.14 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 166.13577 |
| Heavy Atoms | 12 |
| Complexity | 191.0 |
Chemical Identifiers
| CAS Number | 59077-96-2 |
|---|---|
| SMILES | CC1(CCC(=O)C(C1)CC=C)C |
| InChIKey | MSVURWYJBISSJW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,4-Dimethyl-2-allylcyclohexanone (CAS 59077-96-2), with molecular formula C11H18O and molecular weight 166.14 g/mol. IUPAC: 4,4-dimethyl-2-prop-2-enylcyclohexan-1-one.
Chemical Property Profile of 4,4-Dimethyl-2-allylcyclohexanone
Property Insights of 4,4-Dimethyl-2-allylcyclohexanone
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4-Dimethyl-2-allylcyclohexanone. With a topological polar surface area (TPSA) of 17.1 Ų, 4,4-Dimethyl-2-allylcyclohexanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4-Dimethyl-2-allylcyclohexanone 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 4,4-Dimethyl-2-allylcyclohexanone?
The CAS number of 4,4-Dimethyl-2-allylcyclohexanone is 59077-96-2.
What is the molecular formula of 4,4-Dimethyl-2-allylcyclohexanone?
The molecular formula of 4,4-Dimethyl-2-allylcyclohexanone is C11H18O.
What is the molecular weight of 4,4-Dimethyl-2-allylcyclohexanone?
The molecular weight of 4,4-Dimethyl-2-allylcyclohexanone is 166.14 g/mol.
Where can I buy 4,4-Dimethyl-2-allylcyclohexanone?
You can request a quote for 4,4-Dimethyl-2-allylcyclohexanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4-Dimethyl-2-allylcyclohexanone?
Yes, KEHONG BIO provides custom synthesis services for 4,4-Dimethyl-2-allylcyclohexanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.