![Ethanol, 1-[(2,6,6-trimethyl-1-cyclohexen-1-yl)oxy]-, acetate structure](/static/products/5434/54345-63-0.webp)
Ethanol, 1-[(2,6,6-trimethyl-1-cyclohexen-1-yl)oxy]-, acetate
TL;DR: Ethanol, 1-[(2,6,6-trimethyl-1-cyclohexen-1-yl)oxy]-, acetate (CAS 54345-63-0) is a chemical compound with molecular formula C13H22O3 and molecular weight 226.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,6,6-trimethylcyclohexen-1-yl)oxyethyl acetate
Also Known As: aceticacid1-[oxy]ethylester, Aceticacid1-[ oxy]ethylester, 1-(2,6,6-trimethylcyclohexen-1-yl)oxyethyl acetate, Ethanol, 1-[(2,6,6-trimethyl-1-cyclohexen-1-yl)oxy]-, acetate, 1-[(2,6,6-Trimethyl-1-cyclohexen-1-yl)oxy]ethyl acetate
| Molecular Formula | C13H22O3 |
|---|---|
| Molecular Weight | 226.16 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 226.15689 |
| Heavy Atoms | 16 |
| Complexity | 302.0 |
Chemical Identifiers
| CAS Number | 54345-63-0 |
|---|---|
| SMILES | CC1=C(C(CCC1)(C)C)OC(C)OC(=O)C |
| InChIKey | JDBSPZXOQWPJIT-UHFFFAOYSA-N |
Product Overview
Ethanol, 1-[(2,6,6-trimethyl-1-cyclohexen-1-yl)oxy]-, acetate (CAS 54345-63-0), with molecular formula C13H22O3 and molecular weight 226.16 g/mol. IUPAC: 1-(2,6,6-trimethylcyclohexen-1-yl)oxyethyl acetate.
Chemical Property Profile of Ethanol, 1-[(2,6,6-trimethyl-1-cyclohexen-1-yl)oxy]-, acetate
Property Insights of Ethanol, 1-[(2,6,6-trimethyl-1-cyclohexen-1-yl)oxy]-, acetate
The XLogP value of 3.2 indicates that Ethanol, 1-[(2,6,6-trimethyl-1-cyclohexen-1-yl)oxy]-, acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Ethanol, 1-[(2,6,6-trimethyl-1-cyclohexen-1-yl)oxy]-, acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethanol, 1-[(2,6,6-trimethyl-1-cyclohexen-1-yl)oxy]-, acetate has 0 hydrogen bond donor(s) and 3 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 Ethanol, 1-[(2,6,6-trimethyl-1-cyclohexen-1-yl)oxy]-, acetate?
The CAS number of Ethanol, 1-[(2,6,6-trimethyl-1-cyclohexen-1-yl)oxy]-, acetate is 54345-63-0.
What is the molecular formula of Ethanol, 1-[(2,6,6-trimethyl-1-cyclohexen-1-yl)oxy]-, acetate?
The molecular formula of Ethanol, 1-[(2,6,6-trimethyl-1-cyclohexen-1-yl)oxy]-, acetate is C13H22O3.
What is the molecular weight of Ethanol, 1-[(2,6,6-trimethyl-1-cyclohexen-1-yl)oxy]-, acetate?
The molecular weight of Ethanol, 1-[(2,6,6-trimethyl-1-cyclohexen-1-yl)oxy]-, acetate is 226.16 g/mol.
Where can I buy Ethanol, 1-[(2,6,6-trimethyl-1-cyclohexen-1-yl)oxy]-, acetate?
You can request a quote for Ethanol, 1-[(2,6,6-trimethyl-1-cyclohexen-1-yl)oxy]-, acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanol, 1-[(2,6,6-trimethyl-1-cyclohexen-1-yl)oxy]-, acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethanol, 1-[(2,6,6-trimethyl-1-cyclohexen-1-yl)oxy]-, acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.