2-Methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2-butenal
TL;DR: 2-Methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2-butenal (CAS 3155-71-3) is a chemical compound with molecular formula C14H22O and molecular weight 206.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-2-enal
Also Known As: BORONAL, 2-Methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2-butenal, 2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-2-enal, 2,6,6-Tetramethyl-1-cyclohexene-1-crotoaldehyde, 2-Butenal, 2-methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-
| Molecular Formula | C14H22O |
|---|---|
| Molecular Weight | 206.17 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 206.16707 |
| Heavy Atoms | 15 |
| Complexity | 305.0 |
Chemical Identifiers
| CAS Number | 3155-71-3 |
|---|---|
| SMILES | CC1=C(C(CCC1)(C)C)CC=C(C)C=O |
| InChIKey | FJCQUJKUMKZEMH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2-butenal (CAS 3155-71-3), with molecular formula C14H22O and molecular weight 206.17 g/mol. IUPAC: 2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-2-enal.
Chemical Property Profile of 2-Methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2-butenal
Property Insights of 2-Methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2-butenal
The XLogP value of 3.4 indicates that 2-Methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2-butenal is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 2-Methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2-butenal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2-butenal 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-Methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2-butenal?
The CAS number of 2-Methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2-butenal is 3155-71-3.
What is the molecular formula of 2-Methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2-butenal?
The molecular formula of 2-Methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2-butenal is C14H22O.
What is the molecular weight of 2-Methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2-butenal?
The molecular weight of 2-Methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2-butenal is 206.17 g/mol.
Where can I buy 2-Methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2-butenal?
You can request a quote for 2-Methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2-butenal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2-butenal?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2-butenal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.