2-(3-Ethoxy-1-buten-1-yl)-1,3,3-trimethylcyclohexene
TL;DR: 2-(3-Ethoxy-1-buten-1-yl)-1,3,3-trimethylcyclohexene (CAS 65416-26-4) is a chemical compound with molecular formula C15H26O and molecular weight 222.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-ethoxybut-1-enyl)-1,3,3-trimethylcyclohexene
Also Known As: 2-1,3,3-trimethylcyclohexene, 2-(3-Ethoxybuten-1-yl)-1,3,3-trimethylcyclohexene, 2-(3-Ethoxy-1-buten-1-yl)-1,3,3-trimethylcyclohexene, Cyclohexene, 2-(3-ethoxy-1-butenyl)-1,3,3-trimethyl-, 2-(3-ethoxybut-1-en-1-yl)-1,3,3-trimethylcyclohex-1-ene
| Molecular Formula | C15H26O |
|---|---|
| Molecular Weight | 222.20 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 222.19836 |
| Heavy Atoms | 16 |
| Complexity | 284.0 |
Chemical Identifiers
| CAS Number | 65416-26-4 |
|---|---|
| SMILES | CCOC(C)C=CC1=C(CCCC1(C)C)C |
| InChIKey | BLSRPKXPUSFJDP-UHFFFAOYSA-N |
Product Overview
2-(3-Ethoxy-1-buten-1-yl)-1,3,3-trimethylcyclohexene (CAS 65416-26-4), with molecular formula C15H26O and molecular weight 222.20 g/mol. IUPAC: 2-(3-ethoxybut-1-enyl)-1,3,3-trimethylcyclohexene.
Chemical Property Profile of 2-(3-Ethoxy-1-buten-1-yl)-1,3,3-trimethylcyclohexene
Property Insights of 2-(3-Ethoxy-1-buten-1-yl)-1,3,3-trimethylcyclohexene
The XLogP value of 3.8 indicates that 2-(3-Ethoxy-1-buten-1-yl)-1,3,3-trimethylcyclohexene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, 2-(3-Ethoxy-1-buten-1-yl)-1,3,3-trimethylcyclohexene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3-Ethoxy-1-buten-1-yl)-1,3,3-trimethylcyclohexene 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-Ethoxy-1-buten-1-yl)-1,3,3-trimethylcyclohexene?
The CAS number of 2-(3-Ethoxy-1-buten-1-yl)-1,3,3-trimethylcyclohexene is 65416-26-4.
What is the molecular formula of 2-(3-Ethoxy-1-buten-1-yl)-1,3,3-trimethylcyclohexene?
The molecular formula of 2-(3-Ethoxy-1-buten-1-yl)-1,3,3-trimethylcyclohexene is C15H26O.
What is the molecular weight of 2-(3-Ethoxy-1-buten-1-yl)-1,3,3-trimethylcyclohexene?
The molecular weight of 2-(3-Ethoxy-1-buten-1-yl)-1,3,3-trimethylcyclohexene is 222.20 g/mol.
Where can I buy 2-(3-Ethoxy-1-buten-1-yl)-1,3,3-trimethylcyclohexene?
You can request a quote for 2-(3-Ethoxy-1-buten-1-yl)-1,3,3-trimethylcyclohexene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-Ethoxy-1-buten-1-yl)-1,3,3-trimethylcyclohexene?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Ethoxy-1-buten-1-yl)-1,3,3-trimethylcyclohexene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.