2-(3,3-Diethoxybuten-1-yl)-1,1,3-trimethylcyclohexane
TL;DR: 2-(3,3-Diethoxybuten-1-yl)-1,1,3-trimethylcyclohexane (CAS 96097-20-0) is a chemical compound with molecular formula C17H32O2 and molecular weight 268.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,3-diethoxybut-1-enyl)-1,1,3-trimethylcyclohexane
Also Known As: 2-1,1,3-trimethylcyclohexane, 2-(3,3-Diethoxybuten-1-yl)-1,1,3-trimethylcyclohexane, 2-(3,3-Diethoxy-1-buten-1-yl)-1,1,3-trimethylcyclohexane, 2-(3,3-diethoxybut-1-en-1-yl)-1,1,3-trimethylcyclohexane, EINECS 306-100-3, CID6366570, 2-(3,3-Diethoxybuten-1-yl)-1,1,3-trimethylcyclohexane, 96097-20-0
| Molecular Formula | C17H32O2 |
|---|---|
| Molecular Weight | 268.24 g/mol |
| LogP | 4.7942 |
| Topological Polar Surface Area | 18.46 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 268.24023 |
| Heavy Atoms | 19 |
| Complexity | 287.63718 |
Chemical Identifiers
| CAS Number | 96097-20-0 |
|---|---|
| SMILES | CCOC(C)(C=CC1C(CCCC1(C)C)C)OCC |
Product Overview
2-(3,3-Diethoxybuten-1-yl)-1,1,3-trimethylcyclohexane (CAS 96097-20-0), with molecular formula C17H32O2 and molecular weight 268.24 g/mol. IUPAC: 2-(3,3-diethoxybut-1-enyl)-1,1,3-trimethylcyclohexane.
Chemical Property Profile of 2-(3,3-Diethoxybuten-1-yl)-1,1,3-trimethylcyclohexane
Property Insights of 2-(3,3-Diethoxybuten-1-yl)-1,1,3-trimethylcyclohexane
The XLogP value of 4.7942 indicates that 2-(3,3-Diethoxybuten-1-yl)-1,1,3-trimethylcyclohexane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.46 Ų, 2-(3,3-Diethoxybuten-1-yl)-1,1,3-trimethylcyclohexane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3,3-Diethoxybuten-1-yl)-1,1,3-trimethylcyclohexane has 0 hydrogen bond donor(s) and 2 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-(3,3-Diethoxybuten-1-yl)-1,1,3-trimethylcyclohexane?
The CAS number of 2-(3,3-Diethoxybuten-1-yl)-1,1,3-trimethylcyclohexane is 96097-20-0.
What is the molecular formula of 2-(3,3-Diethoxybuten-1-yl)-1,1,3-trimethylcyclohexane?
The molecular formula of 2-(3,3-Diethoxybuten-1-yl)-1,1,3-trimethylcyclohexane is C17H32O2.
What is the molecular weight of 2-(3,3-Diethoxybuten-1-yl)-1,1,3-trimethylcyclohexane?
The molecular weight of 2-(3,3-Diethoxybuten-1-yl)-1,1,3-trimethylcyclohexane is 268.24 g/mol.
Where can I buy 2-(3,3-Diethoxybuten-1-yl)-1,1,3-trimethylcyclohexane?
You can request a quote for 2-(3,3-Diethoxybuten-1-yl)-1,1,3-trimethylcyclohexane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3,3-Diethoxybuten-1-yl)-1,1,3-trimethylcyclohexane?
Yes, KEHONG BIO provides custom synthesis services for 2-(3,3-Diethoxybuten-1-yl)-1,1,3-trimethylcyclohexane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.