O-[2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxo-1,3-oxazolidin-3-yl]ethyl] ethanethioate

C14H27NO4SSi — CID 91143439

IUPACO-[2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxo-1,3-oxazolidin-3-yl]ethyl] ethanethioate
SMILESCC(=S)OCCN1C(=O)OCC1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H27NO4SSi/c1-11(20)17-8-7-15-12(9-18-13(15)16)10-19-21(5,6)14(2,3)4/h12H,7-10H2,1-6H3
InChIKeyBPRFLCFAHMBGEC-UHFFFAOYSA-N
MW333.53 g/mol
LogP3.19
Rot. Bonds6

About O-[2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxo-1,3-oxazolidin-3-yl]ethyl] ethanethioate

O-[2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxo-1,3-oxazolidin-3-yl]ethyl] ethanethioate (PubChem CID 91143439) has the molecular formula C14H27NO4SSi and a molecular weight of 333.53 g/mol. Its IUPAC name is O-[2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxo-1,3-oxazolidin-3-yl]ethyl] ethanethioate.

Molecular Properties

Compound NameO-[2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxo-1,3-oxazolidin-3-yl]ethyl] ethanethioate
PubChem CID91143439
Molecular FormulaC14H27NO4SSi
Molecular Weight333.53 g/mol
Exact Mass333.14
IUPAC NameO-[2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxo-1,3-oxazolidin-3-yl]ethyl] ethanethioate
SMILESCC(=S)OCCN1C(=O)OCC1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H27NO4SSi/c1-11(20)17-8-7-15-12(9-18-13(15)16)10-19-21(5,6)14(2,3)4/h12H,7-10H2,1-6H3
InChIKeyBPRFLCFAHMBGEC-UHFFFAOYSA-N
XLogP3.19
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.53
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of O-[2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxo-1,3-oxazolidin-3-yl]ethyl] ethanethioate?
The IUPAC name of O-[2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxo-1,3-oxazolidin-3-yl]ethyl] ethanethioate (CID 91143439) is O-[2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxo-1,3-oxazolidin-3-yl]ethyl] ethanethioate.
What is the SMILES notation for O-[2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxo-1,3-oxazolidin-3-yl]ethyl] ethanethioate?
The canonical SMILES for O-[2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxo-1,3-oxazolidin-3-yl]ethyl] ethanethioate is CC(=S)OCCN1C(=O)OCC1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of O-[2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxo-1,3-oxazolidin-3-yl]ethyl] ethanethioate?
The InChIKey is BPRFLCFAHMBGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO4SSi/c1-11(20)17-8-7-15-12(9-18-13(15)16)10-19-21(5,6)14(2,3)4/h12H,7-10H2,1-6H3.
What are the key properties of O-[2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxo-1,3-oxazolidin-3-yl]ethyl] ethanethioate?
O-[2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxo-1,3-oxazolidin-3-yl]ethyl] ethanethioate has a molecular weight of 333.53 g/mol, XLogP of 3.19, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxo-1,3-oxazolidin-3-yl]ethyl] ethanethioate is sourced from PubChem (CID 91143439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).