2-Cyclohexene-1-acetaldehyde, 2,6,6-trimethyl-
TL;DR: 2-Cyclohexene-1-acetaldehyde, 2,6,6-trimethyl- (CAS 472-64-0) 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.
2-(2,6,6-trimethylcyclohex-2-en-1-yl)acetaldehyde
Also Known As: sodium4-fluorobutanoate, 2,6,6-Trimethyl-2-cyclohexen-1-acetaldehyde, 2,6,6-Trimethyl-2-cyclohexene-1-acetaldehyde, 2-Cyclohexene-1-acetaldehyde, 2,6,6-trimethyl-, (2,6,6-Trimethyl-2-cyclohexenyl)acetaldehyde
| Molecular Formula | C11H18O |
|---|---|
| Molecular Weight | 166.14 g/mol |
| LogP | 2.3 |
| 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 | 201.0 |
Chemical Identifiers
| CAS Number | 472-64-0 |
|---|---|
| SMILES | CC1=CCCC(C1CC=O)(C)C |
| InChIKey | YJKGMUJSGUUUJU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Cyclohexene-1-acetaldehyde, 2,6,6-trimethyl- (CAS 472-64-0), with molecular formula C11H18O and molecular weight 166.14 g/mol. IUPAC: 2-(2,6,6-trimethylcyclohex-2-en-1-yl)acetaldehyde.
Chemical Property Profile of 2-Cyclohexene-1-acetaldehyde, 2,6,6-trimethyl-
Property Insights of 2-Cyclohexene-1-acetaldehyde, 2,6,6-trimethyl-
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Cyclohexene-1-acetaldehyde, 2,6,6-trimethyl-. With a topological polar surface area (TPSA) of 17.1 Ų, 2-Cyclohexene-1-acetaldehyde, 2,6,6-trimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Cyclohexene-1-acetaldehyde, 2,6,6-trimethyl- 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-Cyclohexene-1-acetaldehyde, 2,6,6-trimethyl-?
The CAS number of 2-Cyclohexene-1-acetaldehyde, 2,6,6-trimethyl- is 472-64-0.
What is the molecular formula of 2-Cyclohexene-1-acetaldehyde, 2,6,6-trimethyl-?
The molecular formula of 2-Cyclohexene-1-acetaldehyde, 2,6,6-trimethyl- is C11H18O.
What is the molecular weight of 2-Cyclohexene-1-acetaldehyde, 2,6,6-trimethyl-?
The molecular weight of 2-Cyclohexene-1-acetaldehyde, 2,6,6-trimethyl- is 166.14 g/mol.
Where can I buy 2-Cyclohexene-1-acetaldehyde, 2,6,6-trimethyl-?
You can request a quote for 2-Cyclohexene-1-acetaldehyde, 2,6,6-trimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Cyclohexene-1-acetaldehyde, 2,6,6-trimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 2-Cyclohexene-1-acetaldehyde, 2,6,6-trimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.