2,3-Dimethyl-4-(2,6,6-trimethyl-1-cyclohexenyl)-2-butenal
TL;DR: 2,3-Dimethyl-4-(2,6,6-trimethyl-1-cyclohexenyl)-2-butenal (CAS 71850-78-7) is a chemical compound with molecular formula C15H24O and molecular weight 220.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-dimethyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-2-enal
Also Known As: 2-Butenal, 2,3-dimethyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, 2,3-Dimethyl-4-(2,6,6-trimethyl-1-cyclohexenyl)-2-butenal, 2,3-Dimethyl-4-(2,2,6-trimethyl-5-cyclohexenyl-1)-2-buten-1-al, 2,3-Dimethyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2-butenal, 2-Butenal,2,3-dimethyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-
| Molecular Formula | C15H24O |
|---|---|
| Molecular Weight | 220.18 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 220.18271 |
| Heavy Atoms | 16 |
| Complexity | 342.0 |
Chemical Identifiers
| CAS Number | 71850-78-7 |
|---|---|
| SMILES | CC1=C(C(CCC1)(C)C)CC(=C(C)C=O)C |
| InChIKey | CQCCAGSSRPAZNY-UHFFFAOYSA-N |
Product Overview
2,3-Dimethyl-4-(2,6,6-trimethyl-1-cyclohexenyl)-2-butenal (CAS 71850-78-7), with molecular formula C15H24O and molecular weight 220.18 g/mol. IUPAC: 2,3-dimethyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-2-enal.
Chemical Property Profile of 2,3-Dimethyl-4-(2,6,6-trimethyl-1-cyclohexenyl)-2-butenal
Property Insights of 2,3-Dimethyl-4-(2,6,6-trimethyl-1-cyclohexenyl)-2-butenal
The XLogP value of 4.0 indicates that 2,3-Dimethyl-4-(2,6,6-trimethyl-1-cyclohexenyl)-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, 2,3-Dimethyl-4-(2,6,6-trimethyl-1-cyclohexenyl)-2-butenal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-Dimethyl-4-(2,6,6-trimethyl-1-cyclohexenyl)-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 2,3-Dimethyl-4-(2,6,6-trimethyl-1-cyclohexenyl)-2-butenal?
The CAS number of 2,3-Dimethyl-4-(2,6,6-trimethyl-1-cyclohexenyl)-2-butenal is 71850-78-7.
What is the molecular formula of 2,3-Dimethyl-4-(2,6,6-trimethyl-1-cyclohexenyl)-2-butenal?
The molecular formula of 2,3-Dimethyl-4-(2,6,6-trimethyl-1-cyclohexenyl)-2-butenal is C15H24O.
What is the molecular weight of 2,3-Dimethyl-4-(2,6,6-trimethyl-1-cyclohexenyl)-2-butenal?
The molecular weight of 2,3-Dimethyl-4-(2,6,6-trimethyl-1-cyclohexenyl)-2-butenal is 220.18 g/mol.
Where can I buy 2,3-Dimethyl-4-(2,6,6-trimethyl-1-cyclohexenyl)-2-butenal?
You can request a quote for 2,3-Dimethyl-4-(2,6,6-trimethyl-1-cyclohexenyl)-2-butenal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Dimethyl-4-(2,6,6-trimethyl-1-cyclohexenyl)-2-butenal?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Dimethyl-4-(2,6,6-trimethyl-1-cyclohexenyl)-2-butenal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.