2-[2-[2-(2-tritylsulfanylethoxy)ethoxy]ethoxy]ethanol

C27H32O4S — CID 15085407

IUPAC2-[2-[2-(2-tritylsulfanylethoxy)ethoxy]ethoxy]ethanol
SMILESOCCOCCOCCOCCSC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H32O4S/c28-16-17-29-18-19-30-20-21-31-22-23-32-27(24-10-4-1-5-11-24,25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-15,28H,16-23H2
InChIKeyOOPFZFIJHFPEPW-UHFFFAOYSA-N
MW452.62 g/mol
LogP4.75
Rot. Bonds15

About 2-[2-[2-(2-tritylsulfanylethoxy)ethoxy]ethoxy]ethanol

2-[2-[2-(2-tritylsulfanylethoxy)ethoxy]ethoxy]ethanol (PubChem CID 15085407) has the molecular formula C27H32O4S and a molecular weight of 452.62 g/mol. Its IUPAC name is 2-[2-[2-(2-tritylsulfanylethoxy)ethoxy]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[2-(2-tritylsulfanylethoxy)ethoxy]ethoxy]ethanol
PubChem CID15085407
Molecular FormulaC27H32O4S
Molecular Weight452.62 g/mol
Exact Mass452.20
IUPAC Name2-[2-[2-(2-tritylsulfanylethoxy)ethoxy]ethoxy]ethanol
SMILESOCCOCCOCCOCCSC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H32O4S/c28-16-17-29-18-19-30-20-21-31-22-23-32-27(24-10-4-1-5-11-24,25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-15,28H,16-23H2
InChIKeyOOPFZFIJHFPEPW-UHFFFAOYSA-N
XLogP4.75
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.62
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 2-[2-[2-(2-tritylsulfanylethoxy)ethoxy]ethoxy]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-tritylsulfanylethoxy)ethoxy]ethoxy]ethanol?
The IUPAC name of 2-[2-[2-(2-tritylsulfanylethoxy)ethoxy]ethoxy]ethanol (CID 15085407) is 2-[2-[2-(2-tritylsulfanylethoxy)ethoxy]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[2-(2-tritylsulfanylethoxy)ethoxy]ethoxy]ethanol?
The canonical SMILES for 2-[2-[2-(2-tritylsulfanylethoxy)ethoxy]ethoxy]ethanol is OCCOCCOCCOCCSC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[2-[2-(2-tritylsulfanylethoxy)ethoxy]ethoxy]ethanol?
The InChIKey is OOPFZFIJHFPEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32O4S/c28-16-17-29-18-19-30-20-21-31-22-23-32-27(24-10-4-1-5-11-24,25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-15,28H,16-23H2.
What are the key properties of 2-[2-[2-(2-tritylsulfanylethoxy)ethoxy]ethoxy]ethanol?
2-[2-[2-(2-tritylsulfanylethoxy)ethoxy]ethoxy]ethanol has a molecular weight of 452.62 g/mol, XLogP of 4.75, 15 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-tritylsulfanylethoxy)ethoxy]ethoxy]ethanol is sourced from PubChem (CID 15085407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).