Cyclohexanone, 4,4-dimethyl-
TL;DR: Cyclohexanone, 4,4-dimethyl- (CAS 4255-62-3) is a chemical compound with molecular formula C8H14O and molecular weight 126.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4-dimethylcyclohexan-1-one
Also Known As: 4,4-Dimethylcyclohexanone, 4,4-dimethylcyclohexan-1-one, null, Cyclohexanone, 4,4-dimethyl-, 4 4-dimethylcyclohexanone
| Molecular Formula | C8H14O |
|---|---|
| Molecular Weight | 126.10 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 126.10446 |
| Heavy Atoms | 9 |
| Complexity | 113.0 |
Chemical Identifiers
| CAS Number | 4255-62-3 |
|---|---|
| SMILES | CC1(CCC(=O)CC1)C |
| InChIKey | PXQMSTLNSHMSJB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cyclohexanone, 4,4-dimethyl- (CAS 4255-62-3), with molecular formula C8H14O and molecular weight 126.10 g/mol. IUPAC: 4,4-dimethylcyclohexan-1-one.
Chemical Property Profile of Cyclohexanone, 4,4-dimethyl-
Property Insights of Cyclohexanone, 4,4-dimethyl-
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclohexanone, 4,4-dimethyl-. With a topological polar surface area (TPSA) of 17.1 Ų, Cyclohexanone, 4,4-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclohexanone, 4,4-dimethyl- 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 Cyclohexanone, 4,4-dimethyl-?
The CAS number of Cyclohexanone, 4,4-dimethyl- is 4255-62-3.
What is the molecular formula of Cyclohexanone, 4,4-dimethyl-?
The molecular formula of Cyclohexanone, 4,4-dimethyl- is C8H14O.
What is the molecular weight of Cyclohexanone, 4,4-dimethyl-?
The molecular weight of Cyclohexanone, 4,4-dimethyl- is 126.10 g/mol.
Where can I buy Cyclohexanone, 4,4-dimethyl-?
You can request a quote for Cyclohexanone, 4,4-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclohexanone, 4,4-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for Cyclohexanone, 4,4-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.