3-Hydroxy-2,6,6-trimethyl-1-cyclohexenecarboxaldehyde
TL;DR: 3-Hydroxy-2,6,6-trimethyl-1-cyclohexenecarboxaldehyde (CAS 14393-38-5) is a chemical compound with molecular formula C10H16O2 and molecular weight 168.11504 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-hydroxy-2,6,6-trimethylcyclohexene-1-carbaldehyde
Also Known As: Urea, salicyloyl-, hydroxy-beta-cyclocitral, 3-Hydroxy-beta-cyclocitral, 3-Hydroxy-2,6,6-trimethyl-1-cyclohexenecarboxaldehyde, (+-)-3-Hydroxy-2,6,6-trimethyl-1-cyclohexene-1-carboxaldehyde
Technical Specifications
| Molecular Formula | C10H16O2 |
| Molecular Weight | 168.11504 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 168.11504 Da |
| Heavy Atoms | 12 |
| Complexity | 226.0 |
| SMILES | CC1=C(C(CCC1O)(C)C)C=O |
| InChIKey | OXXWXNOBQVVELA-UHFFFAOYSA-N |
Chemical Property Profile of 3-Hydroxy-2,6,6-trimethyl-1-cyclohexenecarboxaldehyde
Property Insights of 3-Hydroxy-2,6,6-trimethyl-1-cyclohexenecarboxaldehyde
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Hydroxy-2,6,6-trimethyl-1-cyclohexenecarboxaldehyde. With a topological polar surface area (TPSA) of 37.3 Ų, 3-Hydroxy-2,6,6-trimethyl-1-cyclohexenecarboxaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Hydroxy-2,6,6-trimethyl-1-cyclohexenecarboxaldehyde has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-Hydroxy-2,6,6-trimethyl-1-cyclohexenecarboxaldehyde?
The CAS number of 3-Hydroxy-2,6,6-trimethyl-1-cyclohexenecarboxaldehyde is 14393-38-5.
What is the molecular formula of 3-Hydroxy-2,6,6-trimethyl-1-cyclohexenecarboxaldehyde?
The molecular formula of 3-Hydroxy-2,6,6-trimethyl-1-cyclohexenecarboxaldehyde is C10H16O2.
What is the molecular weight of 3-Hydroxy-2,6,6-trimethyl-1-cyclohexenecarboxaldehyde?
The molecular weight of 3-Hydroxy-2,6,6-trimethyl-1-cyclohexenecarboxaldehyde is 168.11504 g/mol.
Where can I buy 3-Hydroxy-2,6,6-trimethyl-1-cyclohexenecarboxaldehyde?
You can request a quote for 3-Hydroxy-2,6,6-trimethyl-1-cyclohexenecarboxaldehyde directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Hydroxy-2,6,6-trimethyl-1-cyclohexenecarboxaldehyde?
Yes, CoreyChem provides custom synthesis services for 3-Hydroxy-2,6,6-trimethyl-1-cyclohexenecarboxaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.