2,2-Dimethylcyclohexan-1-one
TL;DR: 2,2-Dimethylcyclohexan-1-one (CAS 1333-44-4) is a chemical compound with molecular formula CC1(CCCCC1=O)C and molecular weight 126.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethylcyclohexan-1-one
Also Known As: 2,2-Dimethylcyclohexanone, 2,2-dimethylcyclohexan-1-one, Cyclohexanone, 2,2-dimethyl-, Dimethylcyclohexanone, Cyclohexanone, dimethyl-
| Molecular Formula | CC1(CCCCC1=O)C |
|---|---|
| Molecular Weight | 126.10 g/mol |
| LogP | 1.9 |
| 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 | 125.0 |
Chemical Identifiers
| CAS Number | 1333-44-4 |
|---|---|
| SMILES | CC1(CCCCC1=O)C |
| InChIKey | KNSPBSQWRKKAPI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2-Dimethylcyclohexan-1-one (CAS 1333-44-4), with molecular formula CC1(CCCCC1=O)C and molecular weight 126.10 g/mol. IUPAC: 2,2-dimethylcyclohexan-1-one.
Chemical Property Profile of 2,2-Dimethylcyclohexan-1-one
Property Insights of 2,2-Dimethylcyclohexan-1-one
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-Dimethylcyclohexan-1-one. With a topological polar surface area (TPSA) of 17.1 Ų, 2,2-Dimethylcyclohexan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Dimethylcyclohexan-1-one 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-Dimethylcyclohexan-1-one?
The CAS number of 2,2-Dimethylcyclohexan-1-one is 1333-44-4.
What is the molecular formula of 2,2-Dimethylcyclohexan-1-one?
The molecular formula of 2,2-Dimethylcyclohexan-1-one is CC1(CCCCC1=O)C.
What is the molecular weight of 2,2-Dimethylcyclohexan-1-one?
The molecular weight of 2,2-Dimethylcyclohexan-1-one is 126.10 g/mol.
Where can I buy 2,2-Dimethylcyclohexan-1-one?
You can request a quote for 2,2-Dimethylcyclohexan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Dimethylcyclohexan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Dimethylcyclohexan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.