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

C20H37NO5Si — CID 10916361

IUPACtert-butyl (4R)-4-[(E)-4-[tert-butyl(dimethyl)silyl]oxy-3-oxobut-1-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@H](/C=C/C(=O)CO[Si](C)(C)C(C)(C)C)COC1(C)C
InChIInChI=1S/C20H37NO5Si/c1-18(2,3)26-17(23)21-15(13-24-20(21,7)8)11-12-16(22)14-25-27(9,10)19(4,5)6/h11-12,15H,13-14H2,1-10H3/b12-11+/t15-/m1/s1
InChIKeyBESSMJOBCQMVHO-AYJWMTRPSA-N
MW399.60 g/mol
LogP4.51
Rot. Bonds5

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

tert-butyl (4R)-4-[(E)-4-[tert-butyl(dimethyl)silyl]oxy-3-oxobut-1-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 10916361) has the molecular formula C20H37NO5Si and a molecular weight of 399.60 g/mol. Its IUPAC name is tert-butyl (4R)-4-[(E)-4-[tert-butyl(dimethyl)silyl]oxy-3-oxobut-1-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4R)-4-[(E)-4-[tert-butyl(dimethyl)silyl]oxy-3-oxobut-1-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
PubChem CID10916361
Molecular FormulaC20H37NO5Si
Molecular Weight399.60 g/mol
Exact Mass399.24
IUPAC Nametert-butyl (4R)-4-[(E)-4-[tert-butyl(dimethyl)silyl]oxy-3-oxobut-1-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@H](/C=C/C(=O)CO[Si](C)(C)C(C)(C)C)COC1(C)C
InChIInChI=1S/C20H37NO5Si/c1-18(2,3)26-17(23)21-15(13-24-20(21,7)8)11-12-16(22)14-25-27(9,10)19(4,5)6/h11-12,15H,13-14H2,1-10H3/b12-11+/t15-/m1/s1
InChIKeyBESSMJOBCQMVHO-AYJWMTRPSA-N
XLogP4.51
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.60
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

(E)-3-[(4S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]prop-2-enoic acid
CID 71040825
tert-butyl 4-[(E)-3-hydroxyprop-1-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 14660983
tert-butyl (4S)-4-[(Z)-2-fluoroethenyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 15319101
tert-butyl (4R)-2,2-dimethyl-4-[(E)-3-oxo-3-pyrrol-1-ylprop-1-enyl]-1,3-oxazolidine-3-carboxylate
CID 11438596
tert-butyl (4R)-4-[(Z)-hydroxyiminomethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 100921699
tert-butyl (4S)-4-(3-hydroxy-2-methylprop-1-enyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 91132840
(Z)-6-[(4R)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]hex-5-enoic acid
CID 11109786
tert-butyl 4-[2-(2-amino-1,3-thiazol-5-yl)ethenyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 175450414
tert-butyl (4R)-4-[(Z)-3-bromo-2-fluoroprop-1-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 638993
tert-butyl 4-[(E)-2-(4-fluorophenyl)ethenyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 87546265
tert-butyl (4R)-2,2-dimethyl-4-(7-trimethylsilylhept-1-en-6-ynyl)-1,3-oxazolidine-3-carboxylate
CID 91358123
tert-butyl 4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxybutyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 68712818

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R)-4-[(E)-4-[tert-butyl(dimethyl)silyl]oxy-3-oxobut-1-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4R)-4-[(E)-4-[tert-butyl(dimethyl)silyl]oxy-3-oxobut-1-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (CID 10916361) is tert-butyl (4R)-4-[(E)-4-[tert-butyl(dimethyl)silyl]oxy-3-oxobut-1-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4R)-4-[(E)-4-[tert-butyl(dimethyl)silyl]oxy-3-oxobut-1-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4R)-4-[(E)-4-[tert-butyl(dimethyl)silyl]oxy-3-oxobut-1-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is CC(C)(C)OC(=O)N1[C@H](/C=C/C(=O)CO[Si](C)(C)C(C)(C)C)COC1(C)C.
What is the InChIKey of tert-butyl (4R)-4-[(E)-4-[tert-butyl(dimethyl)silyl]oxy-3-oxobut-1-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is BESSMJOBCQMVHO-AYJWMTRPSA-N. The full InChI is InChI=1S/C20H37NO5Si/c1-18(2,3)26-17(23)21-15(13-24-20(21,7)8)11-12-16(22)14-25-27(9,10)19(4,5)6/h11-12,15H,13-14H2,1-10H3/b12-11+/t15-/m1/s1.
What are the key properties of tert-butyl (4R)-4-[(E)-4-[tert-butyl(dimethyl)silyl]oxy-3-oxobut-1-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
tert-butyl (4R)-4-[(E)-4-[tert-butyl(dimethyl)silyl]oxy-3-oxobut-1-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 399.60 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4R)-4-[(E)-4-[tert-butyl(dimethyl)silyl]oxy-3-oxobut-1-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 10916361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).