tert-butyl (2R,4R)-2-[(E)-4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxybut-2-enyl]-4-phenyl-1,3-oxazolidine-3-carboxylate

C24H39NO5Si — CID 15445289

IUPACtert-butyl (2R,4R)-2-[(E)-4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxybut-2-enyl]-4-phenyl-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@@H](C(O)/C=C/CO[Si](C)(C)C(C)(C)C)OC[C@H]1c1ccccc1
InChIInChI=1S/C24H39NO5Si/c1-23(2,3)30-22(27)25-19(18-13-10-9-11-14-18)17-28-21(25)20(26)15-12-16-29-31(7,8)24(4,5)6/h9-15,19-21,26H,16-17H2,1-8H3/b15-12+/t19-,20?,21+/m0/s1
InChIKeyGKXCRKOEXLSYPK-PACMUCQDSA-N
MW449.66 g/mol
LogP5.26
Rot. Bonds6

About tert-butyl (2R,4R)-2-[(E)-4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxybut-2-enyl]-4-phenyl-1,3-oxazolidine-3-carboxylate

tert-butyl (2R,4R)-2-[(E)-4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxybut-2-enyl]-4-phenyl-1,3-oxazolidine-3-carboxylate (PubChem CID 15445289) has the molecular formula C24H39NO5Si and a molecular weight of 449.66 g/mol. Its IUPAC name is tert-butyl (2R,4R)-2-[(E)-4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxybut-2-enyl]-4-phenyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,4R)-2-[(E)-4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxybut-2-enyl]-4-phenyl-1,3-oxazolidine-3-carboxylate
PubChem CID15445289
Molecular FormulaC24H39NO5Si
Molecular Weight449.66 g/mol
Exact Mass449.26
IUPAC Nametert-butyl (2R,4R)-2-[(E)-4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxybut-2-enyl]-4-phenyl-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@@H](C(O)/C=C/CO[Si](C)(C)C(C)(C)C)OC[C@H]1c1ccccc1
InChIInChI=1S/C24H39NO5Si/c1-23(2,3)30-22(27)25-19(18-13-10-9-11-14-18)17-28-21(25)20(26)15-12-16-29-31(7,8)24(4,5)6/h9-15,19-21,26H,16-17H2,1-8H3/b15-12+/t19-,20?,21+/m0/s1
InChIKeyGKXCRKOEXLSYPK-PACMUCQDSA-N
XLogP5.26
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.66
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

tert-butyl (2R,4R)-2-[(E,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethoxy-5-oxopent-1-enyl]-4-phenyl-1,3-oxazolidine-3-carboxylate
CID 15469064
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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,4R)-2-[(E)-4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxybut-2-enyl]-4-phenyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (2R,4R)-2-[(E)-4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxybut-2-enyl]-4-phenyl-1,3-oxazolidine-3-carboxylate (CID 15445289) is tert-butyl (2R,4R)-2-[(E)-4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxybut-2-enyl]-4-phenyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (2R,4R)-2-[(E)-4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxybut-2-enyl]-4-phenyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (2R,4R)-2-[(E)-4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxybut-2-enyl]-4-phenyl-1,3-oxazolidine-3-carboxylate is CC(C)(C)OC(=O)N1[C@@H](C(O)/C=C/CO[Si](C)(C)C(C)(C)C)OC[C@H]1c1ccccc1.
What is the InChIKey of tert-butyl (2R,4R)-2-[(E)-4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxybut-2-enyl]-4-phenyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is GKXCRKOEXLSYPK-PACMUCQDSA-N. The full InChI is InChI=1S/C24H39NO5Si/c1-23(2,3)30-22(27)25-19(18-13-10-9-11-14-18)17-28-21(25)20(26)15-12-16-29-31(7,8)24(4,5)6/h9-15,19-21,26H,16-17H2,1-8H3/b15-12+/t19-,20?,21+/m0/s1.
What are the key properties of tert-butyl (2R,4R)-2-[(E)-4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxybut-2-enyl]-4-phenyl-1,3-oxazolidine-3-carboxylate?
tert-butyl (2R,4R)-2-[(E)-4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxybut-2-enyl]-4-phenyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 449.66 g/mol, XLogP of 5.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,4R)-2-[(E)-4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxybut-2-enyl]-4-phenyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 15445289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).