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

C13H25NO3Si — CID 134950181

IUPAC(4R,5S)-4-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-ethenyl-1,3-oxazolidin-2-one
SMILESC=C[C@@H]1OC(=O)N[C@H]1[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H25NO3Si/c1-8-10-11(14-12(15)16-10)9(2)17-18(6,7)13(3,4)5/h8-11H,1H2,2-7H3,(H,14,15)/t9-,10-,11-/m0/s1
InChIKeyOPOHBMLYVIUYIJ-DCAQKATOSA-N
MW271.43 g/mol
LogP3.06
Rot. Bonds4

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

(4R,5S)-4-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-ethenyl-1,3-oxazolidin-2-one (PubChem CID 134950181) has the molecular formula C13H25NO3Si and a molecular weight of 271.43 g/mol. Its IUPAC name is (4R,5S)-4-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-ethenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R,5S)-4-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-ethenyl-1,3-oxazolidin-2-one
PubChem CID134950181
Molecular FormulaC13H25NO3Si
Molecular Weight271.43 g/mol
Exact Mass271.16
IUPAC Name(4R,5S)-4-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-ethenyl-1,3-oxazolidin-2-one
SMILESC=C[C@@H]1OC(=O)N[C@H]1[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H25NO3Si/c1-8-10-11(14-12(15)16-10)9(2)17-18(6,7)13(3,4)5/h8-11H,1H2,2-7H3,(H,14,15)/t9-,10-,11-/m0/s1
InChIKeyOPOHBMLYVIUYIJ-DCAQKATOSA-N
XLogP3.06
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 53.06
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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Related Compounds

(4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyl-1,3-oxazolidin-2-one
CID 101220743
(4R)-5-ethenyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 11550047
4-[1-[Tert-butyl(dimethyl)silyl]oxyhexadec-2-enyl]-1,3-oxazolidin-2-one
CID 73038813
(5R)-5-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-1,3-oxazolidin-2-one
CID 132517853
tert-butyl N-[(2S,3R)-2-[tert-butyl(dimethyl)silyl]oxyhex-5-en-3-yl]carbamate
CID 134950159
(4R,5R)-5-ethenyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 176427136
(4S,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyl-1,3-oxazolidin-2-one
CID 10706307
(4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyl-1,3-oxazolidin-2-one
CID 11128976
(4S,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-pentadec-1-enyl-1,3-oxazolidin-2-one
CID 69379187
5-Pentadec-1-enyl-4-[tri(propan-2-yl)silyloxymethyl]-1,3-oxazolidin-2-one
CID 73072594
4-[[Tert-butyl(dimethyl)silyl]oxymethyl]-5-pentadec-1-enyl-1,3-oxazolidin-2-one
CID 77643786
(4S)-4-[(1S)-1-methoxyprop-2-enyl]-1,3-oxazolidin-2-one
CID 166889408

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-4-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-ethenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R,5S)-4-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-ethenyl-1,3-oxazolidin-2-one (CID 134950181) is (4R,5S)-4-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-ethenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R,5S)-4-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-ethenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R,5S)-4-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-ethenyl-1,3-oxazolidin-2-one is C=C[C@@H]1OC(=O)N[C@H]1[C@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4R,5S)-4-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-ethenyl-1,3-oxazolidin-2-one?
The InChIKey is OPOHBMLYVIUYIJ-DCAQKATOSA-N. The full InChI is InChI=1S/C13H25NO3Si/c1-8-10-11(14-12(15)16-10)9(2)17-18(6,7)13(3,4)5/h8-11H,1H2,2-7H3,(H,14,15)/t9-,10-,11-/m0/s1.
What are the key properties of (4R,5S)-4-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-ethenyl-1,3-oxazolidin-2-one?
(4R,5S)-4-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-ethenyl-1,3-oxazolidin-2-one has a molecular weight of 271.43 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-4-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-ethenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 134950181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).