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

C20H31NO3Si — CID 11132182

IUPACtert-butyl (4R)-4-[(E)-2-[dimethyl(phenyl)silyl]ethenyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@H](/C=C/[Si](C)(C)c2ccccc2)COC1(C)C
InChIInChI=1S/C20H31NO3Si/c1-19(2,3)24-18(22)21-16(15-23-20(21,4)5)13-14-25(6,7)17-11-9-8-10-12-17/h8-14,16H,15H2,1-7H3/b14-13+/t16-/m1/s1
InChIKeyACHUECNZWVZSQP-FIFPYPGSSA-N
MW361.56 g/mol
LogP4.07
Rot. Bonds3

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

tert-butyl (4R)-4-[(E)-2-[dimethyl(phenyl)silyl]ethenyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 11132182) has the molecular formula C20H31NO3Si and a molecular weight of 361.56 g/mol. Its IUPAC name is tert-butyl (4R)-4-[(E)-2-[dimethyl(phenyl)silyl]ethenyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4R)-4-[(E)-2-[dimethyl(phenyl)silyl]ethenyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
PubChem CID11132182
Molecular FormulaC20H31NO3Si
Molecular Weight361.56 g/mol
Exact Mass361.21
IUPAC Nametert-butyl (4R)-4-[(E)-2-[dimethyl(phenyl)silyl]ethenyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@H](/C=C/[Si](C)(C)c2ccccc2)COC1(C)C
InChIInChI=1S/C20H31NO3Si/c1-19(2,3)24-18(22)21-16(15-23-20(21,4)5)13-14-25(6,7)17-11-9-8-10-12-17/h8-14,16H,15H2,1-7H3/b14-13+/t16-/m1/s1
InChIKeyACHUECNZWVZSQP-FIFPYPGSSA-N
XLogP4.07
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.56
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R)-4-[(E)-2-[dimethyl(phenyl)silyl]ethenyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4R)-4-[(E)-2-[dimethyl(phenyl)silyl]ethenyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (CID 11132182) is tert-butyl (4R)-4-[(E)-2-[dimethyl(phenyl)silyl]ethenyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4R)-4-[(E)-2-[dimethyl(phenyl)silyl]ethenyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4R)-4-[(E)-2-[dimethyl(phenyl)silyl]ethenyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is CC(C)(C)OC(=O)N1[C@H](/C=C/[Si](C)(C)c2ccccc2)COC1(C)C.
What is the InChIKey of tert-butyl (4R)-4-[(E)-2-[dimethyl(phenyl)silyl]ethenyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is ACHUECNZWVZSQP-FIFPYPGSSA-N. The full InChI is InChI=1S/C20H31NO3Si/c1-19(2,3)24-18(22)21-16(15-23-20(21,4)5)13-14-25(6,7)17-11-9-8-10-12-17/h8-14,16H,15H2,1-7H3/b14-13+/t16-/m1/s1.
What are the key properties of tert-butyl (4R)-4-[(E)-2-[dimethyl(phenyl)silyl]ethenyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
tert-butyl (4R)-4-[(E)-2-[dimethyl(phenyl)silyl]ethenyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 361.56 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4R)-4-[(E)-2-[dimethyl(phenyl)silyl]ethenyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 11132182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).