Cyclohexanecarboxaldehyde, 3,3-dimethyl-5-oxo-
TL;DR: Cyclohexanecarboxaldehyde, 3,3-dimethyl-5-oxo- (CAS 65080-66-2) is a chemical compound with molecular formula C9H14O2 and molecular weight 154.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-dimethyl-5-oxocyclohexane-1-carbaldehyde
Also Known As: Cyclohexanecarboxaldehyde, 3,3-dimethyl-5-oxo-, 3,3-Dimethyl-5-oxocyclohexanecarbaldehyde, 3,3-dimethyl-5-oxocyclohexane-1-carbaldehyde, 3,3-dimethyl-5-oxo-cyclohexanecarboxaldehyde, 3,3-Dimethyl-5-oxocyclohexanecarbaldehyde #
| Molecular Formula | C9H14O2 |
|---|---|
| Molecular Weight | 154.10 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 154.09938 |
| Heavy Atoms | 11 |
| Complexity | 182.0 |
Chemical Identifiers
| CAS Number | 65080-66-2 |
|---|---|
| SMILES | CC1(CC(CC(=O)C1)C=O)C |
| InChIKey | XNXKKWISKGQKGZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cyclohexanecarboxaldehyde, 3,3-dimethyl-5-oxo- (CAS 65080-66-2), with molecular formula C9H14O2 and molecular weight 154.10 g/mol. IUPAC: 3,3-dimethyl-5-oxocyclohexane-1-carbaldehyde.
Chemical Property Profile of Cyclohexanecarboxaldehyde, 3,3-dimethyl-5-oxo-
Property Insights of Cyclohexanecarboxaldehyde, 3,3-dimethyl-5-oxo-
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclohexanecarboxaldehyde, 3,3-dimethyl-5-oxo-. With a topological polar surface area (TPSA) of 34.1 Ų, Cyclohexanecarboxaldehyde, 3,3-dimethyl-5-oxo- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclohexanecarboxaldehyde, 3,3-dimethyl-5-oxo- has 0 hydrogen bond donor(s) and 2 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 Cyclohexanecarboxaldehyde, 3,3-dimethyl-5-oxo-?
The CAS number of Cyclohexanecarboxaldehyde, 3,3-dimethyl-5-oxo- is 65080-66-2.
What is the molecular formula of Cyclohexanecarboxaldehyde, 3,3-dimethyl-5-oxo-?
The molecular formula of Cyclohexanecarboxaldehyde, 3,3-dimethyl-5-oxo- is C9H14O2.
What is the molecular weight of Cyclohexanecarboxaldehyde, 3,3-dimethyl-5-oxo-?
The molecular weight of Cyclohexanecarboxaldehyde, 3,3-dimethyl-5-oxo- is 154.10 g/mol.
Where can I buy Cyclohexanecarboxaldehyde, 3,3-dimethyl-5-oxo-?
You can request a quote for Cyclohexanecarboxaldehyde, 3,3-dimethyl-5-oxo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclohexanecarboxaldehyde, 3,3-dimethyl-5-oxo-?
Yes, KEHONG BIO provides custom synthesis services for Cyclohexanecarboxaldehyde, 3,3-dimethyl-5-oxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.