(5R)-5-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-1,3-oxazolidin-2-one

C12H23NO3Si — CID 132517853

IUPAC(5R)-5-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-1,3-oxazolidin-2-one
SMILESCC(C)(C)[Si](C)(C)OC/C=C/[C@@H]1CNC(=O)O1
InChIInChI=1S/C12H23NO3Si/c1-12(2,3)17(4,5)15-8-6-7-10-9-13-11(14)16-10/h6-7,10H,8-9H2,1-5H3,(H,13,14)/b7-6+/t10-/m1/s1
InChIKeyAQOAOGWJXQUGDH-VQCYPWCPSA-N
MW257.41 g/mol
LogP2.67
Rot. Bonds4

About (5R)-5-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-1,3-oxazolidin-2-one

(5R)-5-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-1,3-oxazolidin-2-one (PubChem CID 132517853) has the molecular formula C12H23NO3Si and a molecular weight of 257.41 g/mol. Its IUPAC name is (5R)-5-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-5-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-1,3-oxazolidin-2-one
PubChem CID132517853
Molecular FormulaC12H23NO3Si
Molecular Weight257.41 g/mol
Exact Mass257.14
IUPAC Name(5R)-5-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-1,3-oxazolidin-2-one
SMILESCC(C)(C)[Si](C)(C)OC/C=C/[C@@H]1CNC(=O)O1
InChIInChI=1S/C12H23NO3Si/c1-12(2,3)17(4,5)15-8-6-7-10-9-13-11(14)16-10/h6-7,10H,8-9H2,1-5H3,(H,13,14)/b7-6+/t10-/m1/s1
InChIKeyAQOAOGWJXQUGDH-VQCYPWCPSA-N
XLogP2.67
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.41
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-5-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-1,3-oxazolidin-2-one (CID 132517853) is (5R)-5-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-5-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-5-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-1,3-oxazolidin-2-one is CC(C)(C)[Si](C)(C)OC/C=C/[C@@H]1CNC(=O)O1.
What is the InChIKey of (5R)-5-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-1,3-oxazolidin-2-one?
The InChIKey is AQOAOGWJXQUGDH-VQCYPWCPSA-N. The full InChI is InChI=1S/C12H23NO3Si/c1-12(2,3)17(4,5)15-8-6-7-10-9-13-11(14)16-10/h6-7,10H,8-9H2,1-5H3,(H,13,14)/b7-6+/t10-/m1/s1.
What are the key properties of (5R)-5-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-1,3-oxazolidin-2-one?
(5R)-5-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-1,3-oxazolidin-2-one has a molecular weight of 257.41 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 132517853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).