tert-butyl (4S)-2,2-dimethyl-4-(3-trimethylsilylbuta-1,2-dienyl)-1,3-oxazolidine-3-carboxylate

C17H31NO3Si — CID 10616070

IUPACtert-butyl (4S)-2,2-dimethyl-4-(3-trimethylsilylbuta-1,2-dienyl)-1,3-oxazolidine-3-carboxylate
SMILESCC(=C=C[C@H]1COC(C)(C)N1C(=O)OC(C)(C)C)[Si](C)(C)C
InChIInChI=1S/C17H31NO3Si/c1-13(22(7,8)9)10-11-14-12-20-17(5,6)18(14)15(19)21-16(2,3)4/h11,14H,12H2,1-9H3/t10?,14-/m0/s1
InChIKeyBRONNBHMMUGASG-SBNLOKMTSA-N
MW325.53 g/mol
LogP4.34
Rot. Bonds2

About tert-butyl (4S)-2,2-dimethyl-4-(3-trimethylsilylbuta-1,2-dienyl)-1,3-oxazolidine-3-carboxylate

tert-butyl (4S)-2,2-dimethyl-4-(3-trimethylsilylbuta-1,2-dienyl)-1,3-oxazolidine-3-carboxylate (PubChem CID 10616070) has the molecular formula C17H31NO3Si and a molecular weight of 325.53 g/mol. Its IUPAC name is tert-butyl (4S)-2,2-dimethyl-4-(3-trimethylsilylbuta-1,2-dienyl)-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4S)-2,2-dimethyl-4-(3-trimethylsilylbuta-1,2-dienyl)-1,3-oxazolidine-3-carboxylate
PubChem CID10616070
Molecular FormulaC17H31NO3Si
Molecular Weight325.53 g/mol
Exact Mass325.21
IUPAC Nametert-butyl (4S)-2,2-dimethyl-4-(3-trimethylsilylbuta-1,2-dienyl)-1,3-oxazolidine-3-carboxylate
SMILESCC(=C=C[C@H]1COC(C)(C)N1C(=O)OC(C)(C)C)[Si](C)(C)C
InChIInChI=1S/C17H31NO3Si/c1-13(22(7,8)9)10-11-14-12-20-17(5,6)18(14)15(19)21-16(2,3)4/h11,14H,12H2,1-9H3/t10?,14-/m0/s1
InChIKeyBRONNBHMMUGASG-SBNLOKMTSA-N
XLogP4.34
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.53
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4R)-2,2-Dimethyl-4-vinyloxazolidine-3-carboxylic acid tert-butyl ester
CID 10878894
tert-butyl (4R)-2,2-dimethyl-4-[(E)-2-tributylstannylethenyl]-1,3-oxazolidine-3-carboxylate
CID 10697188
tert-butyl (4R)-2,2-dimethyl-4-[(E)-2-trimethylsilylethenyl]-1,3-oxazolidine-3-carboxylate
CID 11141095
tert-butyl (4R)-2,2-dimethyl-4-(3-trimethylsilylpropa-1,2-dienyl)-1,3-oxazolidine-3-carboxylate
CID 102278746
Tert-butyl 2,2-dimethyl-4-vinyloxazolidine-3-carboxylate
CID 13905152
tert-butyl (4R)-2,2-dimethyl-4-[(E)-3-trimethylsilylprop-1-enyl]-1,3-oxazolidine-3-carboxylate
CID 57801792
tert-butyl (4S)-4-(3-bromo-3-trimethylsilylpropa-1,2-dienyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 10644102
tert-butyl (4S)-2,2-dimethyl-4-(3-trimethylsilylhepta-1,2-dienyl)-1,3-oxazolidine-3-carboxylate
CID 10714029
tert-butyl (4R)-2,2-dimethyl-4-[(Z)-3-trimethylsilylprop-1-enyl]-1,3-oxazolidine-3-carboxylate
CID 102184012
tert-butyl (4R)-4-(3-bromo-3-trimethylsilylpropa-1,2-dienyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 102447101
Tert-butyl (4S)-4-ethenyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 11020618
tert-butyl N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl]-N-prop-2-enylcarbamate
CID 16091113

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4S)-2,2-dimethyl-4-(3-trimethylsilylbuta-1,2-dienyl)-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4S)-2,2-dimethyl-4-(3-trimethylsilylbuta-1,2-dienyl)-1,3-oxazolidine-3-carboxylate (CID 10616070) is tert-butyl (4S)-2,2-dimethyl-4-(3-trimethylsilylbuta-1,2-dienyl)-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4S)-2,2-dimethyl-4-(3-trimethylsilylbuta-1,2-dienyl)-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4S)-2,2-dimethyl-4-(3-trimethylsilylbuta-1,2-dienyl)-1,3-oxazolidine-3-carboxylate is CC(=C=C[C@H]1COC(C)(C)N1C(=O)OC(C)(C)C)[Si](C)(C)C.
What is the InChIKey of tert-butyl (4S)-2,2-dimethyl-4-(3-trimethylsilylbuta-1,2-dienyl)-1,3-oxazolidine-3-carboxylate?
The InChIKey is BRONNBHMMUGASG-SBNLOKMTSA-N. The full InChI is InChI=1S/C17H31NO3Si/c1-13(22(7,8)9)10-11-14-12-20-17(5,6)18(14)15(19)21-16(2,3)4/h11,14H,12H2,1-9H3/t10?,14-/m0/s1.
What are the key properties of tert-butyl (4S)-2,2-dimethyl-4-(3-trimethylsilylbuta-1,2-dienyl)-1,3-oxazolidine-3-carboxylate?
tert-butyl (4S)-2,2-dimethyl-4-(3-trimethylsilylbuta-1,2-dienyl)-1,3-oxazolidine-3-carboxylate has a molecular weight of 325.53 g/mol, XLogP of 4.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4S)-2,2-dimethyl-4-(3-trimethylsilylbuta-1,2-dienyl)-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 10616070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).