tert-butyl 2,2-dimethyl-4-[(1E)-3-trimethylsilyloxybuta-1,3-dienyl]-1,3-oxazolidine-3-carboxylate

C17H31NO4Si — CID 162743601

IUPACtert-butyl 2,2-dimethyl-4-[(1E)-3-trimethylsilyloxybuta-1,3-dienyl]-1,3-oxazolidine-3-carboxylate
SMILESC=C(/C=C/C1COC(C)(C)N1C(=O)OC(C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C17H31NO4Si/c1-13(22-23(7,8)9)10-11-14-12-20-17(5,6)18(14)15(19)21-16(2,3)4/h10-11,14H,1,12H2,2-9H3/b11-10+
InChIKeyJKNIBCNJQCOAED-ZHACJKMWSA-N
MW341.52 g/mol
LogP4.28
Rot. Bonds4

About tert-butyl 2,2-dimethyl-4-[(1E)-3-trimethylsilyloxybuta-1,3-dienyl]-1,3-oxazolidine-3-carboxylate

tert-butyl 2,2-dimethyl-4-[(1E)-3-trimethylsilyloxybuta-1,3-dienyl]-1,3-oxazolidine-3-carboxylate (PubChem CID 162743601) has the molecular formula C17H31NO4Si and a molecular weight of 341.52 g/mol. Its IUPAC name is tert-butyl 2,2-dimethyl-4-[(1E)-3-trimethylsilyloxybuta-1,3-dienyl]-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 2,2-dimethyl-4-[(1E)-3-trimethylsilyloxybuta-1,3-dienyl]-1,3-oxazolidine-3-carboxylate
PubChem CID162743601
Molecular FormulaC17H31NO4Si
Molecular Weight341.52 g/mol
Exact Mass341.20
IUPAC Nametert-butyl 2,2-dimethyl-4-[(1E)-3-trimethylsilyloxybuta-1,3-dienyl]-1,3-oxazolidine-3-carboxylate
SMILESC=C(/C=C/C1COC(C)(C)N1C(=O)OC(C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C17H31NO4Si/c1-13(22-23(7,8)9)10-11-14-12-20-17(5,6)18(14)15(19)21-16(2,3)4/h10-11,14H,1,12H2,2-9H3/b11-10+
InChIKeyJKNIBCNJQCOAED-ZHACJKMWSA-N
XLogP4.28
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.52
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2,2-dimethyl-4-[(1E)-3-trimethylsilyloxybuta-1,3-dienyl]-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl 2,2-dimethyl-4-[(1E)-3-trimethylsilyloxybuta-1,3-dienyl]-1,3-oxazolidine-3-carboxylate (CID 162743601) is tert-butyl 2,2-dimethyl-4-[(1E)-3-trimethylsilyloxybuta-1,3-dienyl]-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl 2,2-dimethyl-4-[(1E)-3-trimethylsilyloxybuta-1,3-dienyl]-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl 2,2-dimethyl-4-[(1E)-3-trimethylsilyloxybuta-1,3-dienyl]-1,3-oxazolidine-3-carboxylate is C=C(/C=C/C1COC(C)(C)N1C(=O)OC(C)(C)C)O[Si](C)(C)C.
What is the InChIKey of tert-butyl 2,2-dimethyl-4-[(1E)-3-trimethylsilyloxybuta-1,3-dienyl]-1,3-oxazolidine-3-carboxylate?
The InChIKey is JKNIBCNJQCOAED-ZHACJKMWSA-N. The full InChI is InChI=1S/C17H31NO4Si/c1-13(22-23(7,8)9)10-11-14-12-20-17(5,6)18(14)15(19)21-16(2,3)4/h10-11,14H,1,12H2,2-9H3/b11-10+.
What are the key properties of tert-butyl 2,2-dimethyl-4-[(1E)-3-trimethylsilyloxybuta-1,3-dienyl]-1,3-oxazolidine-3-carboxylate?
tert-butyl 2,2-dimethyl-4-[(1E)-3-trimethylsilyloxybuta-1,3-dienyl]-1,3-oxazolidine-3-carboxylate has a molecular weight of 341.52 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2,2-dimethyl-4-[(1E)-3-trimethylsilyloxybuta-1,3-dienyl]-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 162743601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).