tert-butyl-[(2-ethoxy-1,3-oxathiolan-4-yl)methoxy]-diphenylsilane

C22H30O3SSi — CID 21255890

IUPACtert-butyl-[(2-ethoxy-1,3-oxathiolan-4-yl)methoxy]-diphenylsilane
SMILESCCOC1OCC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)S1
InChIInChI=1S/C22H30O3SSi/c1-5-23-21-24-16-18(26-21)17-25-27(22(2,3)4,19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-15,18,21H,5,16-17H2,1-4H3
InChIKeyRYUUEZSLSYSXLS-UHFFFAOYSA-N
MW402.63 g/mol
LogP4.02
Rot. Bonds7

About tert-butyl-[(2-ethoxy-1,3-oxathiolan-4-yl)methoxy]-diphenylsilane

tert-butyl-[(2-ethoxy-1,3-oxathiolan-4-yl)methoxy]-diphenylsilane (PubChem CID 21255890) has the molecular formula C22H30O3SSi and a molecular weight of 402.63 g/mol. Its IUPAC name is tert-butyl-[(2-ethoxy-1,3-oxathiolan-4-yl)methoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(2-ethoxy-1,3-oxathiolan-4-yl)methoxy]-diphenylsilane
PubChem CID21255890
Molecular FormulaC22H30O3SSi
Molecular Weight402.63 g/mol
Exact Mass402.17
IUPAC Nametert-butyl-[(2-ethoxy-1,3-oxathiolan-4-yl)methoxy]-diphenylsilane
SMILESCCOC1OCC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)S1
InChIInChI=1S/C22H30O3SSi/c1-5-23-21-24-16-18(26-21)17-25-27(22(2,3)4,19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-15,18,21H,5,16-17H2,1-4H3
InChIKeyRYUUEZSLSYSXLS-UHFFFAOYSA-N
XLogP4.02
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.63
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl-[(2-ethoxy-1,3-oxathiolan-4-yl)methoxy]-diphenylsilane 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 tert-butyl-[(2-ethoxy-1,3-oxathiolan-4-yl)methoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[(2-ethoxy-1,3-oxathiolan-4-yl)methoxy]-diphenylsilane (CID 21255890) is tert-butyl-[(2-ethoxy-1,3-oxathiolan-4-yl)methoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[(2-ethoxy-1,3-oxathiolan-4-yl)methoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[(2-ethoxy-1,3-oxathiolan-4-yl)methoxy]-diphenylsilane is CCOC1OCC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)S1.
What is the InChIKey of tert-butyl-[(2-ethoxy-1,3-oxathiolan-4-yl)methoxy]-diphenylsilane?
The InChIKey is RYUUEZSLSYSXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30O3SSi/c1-5-23-21-24-16-18(26-21)17-25-27(22(2,3)4,19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-15,18,21H,5,16-17H2,1-4H3.
What are the key properties of tert-butyl-[(2-ethoxy-1,3-oxathiolan-4-yl)methoxy]-diphenylsilane?
tert-butyl-[(2-ethoxy-1,3-oxathiolan-4-yl)methoxy]-diphenylsilane has a molecular weight of 402.63 g/mol, XLogP of 4.02, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2-ethoxy-1,3-oxathiolan-4-yl)methoxy]-diphenylsilane is sourced from PubChem (CID 21255890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).