Ethanol, 1-(tert-pentyloxy)-2,2,2-trichloro-
TL;DR: Ethanol, 1-(tert-pentyloxy)-2,2,2-trichloro- (CAS 541-63-9) is a chemical compound with molecular formula C7H13Cl3O2 and molecular weight 234.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-trichloro-1-(2-methylbutan-2-yloxy)ethanol
Also Known As: Dormiol, Amylenechloral, Chloral-tert.-amylalkoholat, 1-(tert-Pentyloxy)-2,2,2-trichloroethanol, 1-01-00-00330 (Beilstein Handbook Reference)
| Molecular Formula | C7H13Cl3O2 |
|---|---|
| Molecular Weight | 234.00 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 233.99811 |
| Heavy Atoms | 12 |
| Complexity | 142.0 |
Chemical Identifiers
| CAS Number | 541-63-9 |
|---|---|
| SMILES | CCC(C)(C)OC(C(Cl)(Cl)Cl)O |
| InChIKey | VSYFHDGUUKGQEW-UHFFFAOYSA-N |
Product Overview
Ethanol, 1-(tert-pentyloxy)-2,2,2-trichloro- (CAS 541-63-9), with molecular formula C7H13Cl3O2 and molecular weight 234.00 g/mol. IUPAC: 2,2,2-trichloro-1-(2-methylbutan-2-yloxy)ethanol.
Chemical Property Profile of Ethanol, 1-(tert-pentyloxy)-2,2,2-trichloro-
Property Insights of Ethanol, 1-(tert-pentyloxy)-2,2,2-trichloro-
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethanol, 1-(tert-pentyloxy)-2,2,2-trichloro-. With a topological polar surface area (TPSA) of 29.5 Ų, Ethanol, 1-(tert-pentyloxy)-2,2,2-trichloro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethanol, 1-(tert-pentyloxy)-2,2,2-trichloro- has 1 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 Ethanol, 1-(tert-pentyloxy)-2,2,2-trichloro-?
The CAS number of Ethanol, 1-(tert-pentyloxy)-2,2,2-trichloro- is 541-63-9.
What is the molecular formula of Ethanol, 1-(tert-pentyloxy)-2,2,2-trichloro-?
The molecular formula of Ethanol, 1-(tert-pentyloxy)-2,2,2-trichloro- is C7H13Cl3O2.
What is the molecular weight of Ethanol, 1-(tert-pentyloxy)-2,2,2-trichloro-?
The molecular weight of Ethanol, 1-(tert-pentyloxy)-2,2,2-trichloro- is 234.00 g/mol.
Where can I buy Ethanol, 1-(tert-pentyloxy)-2,2,2-trichloro-?
You can request a quote for Ethanol, 1-(tert-pentyloxy)-2,2,2-trichloro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanol, 1-(tert-pentyloxy)-2,2,2-trichloro-?
Yes, KEHONG BIO provides custom synthesis services for Ethanol, 1-(tert-pentyloxy)-2,2,2-trichloro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.