3-Butenal, 2-methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-
TL;DR: 3-Butenal, 2-methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)- (CAS 58102-02-6) is a chemical compound with molecular formula C14H22O and molecular weight 206.16707 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-enal
Also Known As: tobacco butenal, Ional, 3-Butenal, 2-methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, 2-Methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-butenal, 2-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-enal
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C14H22O |
| Molecular Weight | 206.16707 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 206.16707 Da |
| Heavy Atoms | 15 |
| Complexity | 284.0 |
| SMILES | CC1=CCCC(C1C=CC(C)C=O)(C)C |
| InChIKey | AISADLWIINCFJS-UHFFFAOYSA-N |
Chemical Property Profile of 3-Butenal, 2-methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-
Property Insights of 3-Butenal, 2-methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-
The XLogP value of 3.5 indicates that 3-Butenal, 2-methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 3-Butenal, 2-methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Butenal, 2-methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)- 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
What is the CAS number of 3-Butenal, 2-methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-?
The CAS number of 3-Butenal, 2-methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)- is 58102-02-6.
What is the molecular formula of 3-Butenal, 2-methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-?
The molecular formula of 3-Butenal, 2-methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)- is C14H22O.
What is the molecular weight of 3-Butenal, 2-methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-?
The molecular weight of 3-Butenal, 2-methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)- is 206.16707 g/mol.
Where can I buy 3-Butenal, 2-methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-?
You can request a quote for 3-Butenal, 2-methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Butenal, 2-methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-?
Yes, CoreyChem provides custom synthesis services for 3-Butenal, 2-methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.