1-[tert-butyl(dimethyl)silyl]oxy-3-tritylsulfanylpropan-2-ol

C28H36O2SSi — CID 14285895

IUPAC1-[tert-butyl(dimethyl)silyl]oxy-3-tritylsulfanylpropan-2-ol
SMILESCC(C)(C)[Si](C)(C)OCC(O)CSC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H36O2SSi/c1-27(2,3)32(4,5)30-21-26(29)22-31-28(23-15-9-6-10-16-23,24-17-11-7-12-18-24)25-19-13-8-14-20-25/h6-20,26,29H,21-22H2,1-5H3
InChIKeyREFKSRYRXUWHFV-UHFFFAOYSA-N
MW464.75 g/mol
LogP7.09
Rot. Bonds9

About 1-[tert-butyl(dimethyl)silyl]oxy-3-tritylsulfanylpropan-2-ol

1-[tert-butyl(dimethyl)silyl]oxy-3-tritylsulfanylpropan-2-ol (PubChem CID 14285895) has the molecular formula C28H36O2SSi and a molecular weight of 464.75 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]oxy-3-tritylsulfanylpropan-2-ol.

Molecular Properties

Compound Name1-[tert-butyl(dimethyl)silyl]oxy-3-tritylsulfanylpropan-2-ol
PubChem CID14285895
Molecular FormulaC28H36O2SSi
Molecular Weight464.75 g/mol
Exact Mass464.22
IUPAC Name1-[tert-butyl(dimethyl)silyl]oxy-3-tritylsulfanylpropan-2-ol
SMILESCC(C)(C)[Si](C)(C)OCC(O)CSC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H36O2SSi/c1-27(2,3)32(4,5)30-21-26(29)22-31-28(23-15-9-6-10-16-23,24-17-11-7-12-18-24)25-19-13-8-14-20-25/h6-20,26,29H,21-22H2,1-5H3
InChIKeyREFKSRYRXUWHFV-UHFFFAOYSA-N
XLogP7.09
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.75
LogP ≤ 57.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[tert-butyl(dimethyl)silyl]oxy-3-tritylsulfanylpropan-2-ol 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 1-[tert-butyl(dimethyl)silyl]oxy-3-tritylsulfanylpropan-2-ol?
The IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxy-3-tritylsulfanylpropan-2-ol (CID 14285895) is 1-[tert-butyl(dimethyl)silyl]oxy-3-tritylsulfanylpropan-2-ol.
What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]oxy-3-tritylsulfanylpropan-2-ol?
The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]oxy-3-tritylsulfanylpropan-2-ol is CC(C)(C)[Si](C)(C)OCC(O)CSC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]oxy-3-tritylsulfanylpropan-2-ol?
The InChIKey is REFKSRYRXUWHFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36O2SSi/c1-27(2,3)32(4,5)30-21-26(29)22-31-28(23-15-9-6-10-16-23,24-17-11-7-12-18-24)25-19-13-8-14-20-25/h6-20,26,29H,21-22H2,1-5H3.
What are the key properties of 1-[tert-butyl(dimethyl)silyl]oxy-3-tritylsulfanylpropan-2-ol?
1-[tert-butyl(dimethyl)silyl]oxy-3-tritylsulfanylpropan-2-ol has a molecular weight of 464.75 g/mol, XLogP of 7.09, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(dimethyl)silyl]oxy-3-tritylsulfanylpropan-2-ol is sourced from PubChem (CID 14285895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).