(4S,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyl-1,3-oxazolidin-2-one

C12H23NO3Si — CID 10706307

IUPAC(4S,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyl-1,3-oxazolidin-2-one
SMILESC=C[C@H]1OC(=O)N[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H23NO3Si/c1-7-10-9(13-11(14)16-10)8-15-17(5,6)12(2,3)4/h7,9-10H,1,8H2,2-6H3,(H,13,14)/t9-,10+/m0/s1
InChIKeyIGHCWNJDYJQWIR-VHSXEESVSA-N
MW257.41 g/mol
LogP2.67
Rot. Bonds4

About (4S,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyl-1,3-oxazolidin-2-one

(4S,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyl-1,3-oxazolidin-2-one (PubChem CID 10706307) has the molecular formula C12H23NO3Si and a molecular weight of 257.41 g/mol. Its IUPAC name is (4S,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyl-1,3-oxazolidin-2-one
PubChem CID10706307
Molecular FormulaC12H23NO3Si
Molecular Weight257.41 g/mol
Exact Mass257.14
IUPAC Name(4S,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyl-1,3-oxazolidin-2-one
SMILESC=C[C@H]1OC(=O)N[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H23NO3Si/c1-7-10-9(13-11(14)16-10)8-15-17(5,6)12(2,3)4/h7,9-10H,1,8H2,2-6H3,(H,13,14)/t9-,10+/m0/s1
InChIKeyIGHCWNJDYJQWIR-VHSXEESVSA-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 (4S,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyl-1,3-oxazolidin-2-one (CID 10706307) is (4S,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyl-1,3-oxazolidin-2-one is C=C[C@H]1OC(=O)N[C@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4S,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyl-1,3-oxazolidin-2-one?
The InChIKey is IGHCWNJDYJQWIR-VHSXEESVSA-N. The full InChI is InChI=1S/C12H23NO3Si/c1-7-10-9(13-11(14)16-10)8-15-17(5,6)12(2,3)4/h7,9-10H,1,8H2,2-6H3,(H,13,14)/t9-,10+/m0/s1.
What are the key properties of (4S,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyl-1,3-oxazolidin-2-one?
(4S,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyl-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 (4S,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 10706307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).