Cyclohexanone, 3,3-dimethyl-
TL;DR: Cyclohexanone, 3,3-dimethyl- (CAS 2979-19-3) 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.
3,3-dimethylcyclohexan-1-one
Also Known As: 3,3-Dimethylcyclohexanone, 3,3-dimethylcyclohexan-1-one, Cyclohexanone, 3,3-dimethyl-, 3,3-Dimethylcyclohexane-1-one, 3,3-dimethylcyclohexanon
| Molecular Formula | C8H14O |
|---|---|
| Molecular Weight | 126.10 g/mol |
| LogP | 1.8 |
| 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 | 2979-19-3 |
|---|---|
| SMILES | CC1(CCCC(=O)C1)C |
| InChIKey | ZVJQBBYAVPAFLX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cyclohexanone, 3,3-dimethyl- (CAS 2979-19-3), with molecular formula C8H14O and molecular weight 126.10 g/mol. IUPAC: 3,3-dimethylcyclohexan-1-one.
Chemical Property Profile of Cyclohexanone, 3,3-dimethyl-
Property Insights of Cyclohexanone, 3,3-dimethyl-
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclohexanone, 3,3-dimethyl-. With a topological polar surface area (TPSA) of 17.1 Ų, Cyclohexanone, 3,3-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclohexanone, 3,3-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, 3,3-dimethyl-?
The CAS number of Cyclohexanone, 3,3-dimethyl- is 2979-19-3.
What is the molecular formula of Cyclohexanone, 3,3-dimethyl-?
The molecular formula of Cyclohexanone, 3,3-dimethyl- is C8H14O.
What is the molecular weight of Cyclohexanone, 3,3-dimethyl-?
The molecular weight of Cyclohexanone, 3,3-dimethyl- is 126.10 g/mol.
Where can I buy Cyclohexanone, 3,3-dimethyl-?
You can request a quote for Cyclohexanone, 3,3-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclohexanone, 3,3-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for Cyclohexanone, 3,3-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.