tert-butyl (5S)-3-propan-2-yl-5-trimethylsilylimidazolidine-1-carboxylate

C14H30N2O2Si — CID 101159864

IUPACtert-butyl (5S)-3-propan-2-yl-5-trimethylsilylimidazolidine-1-carboxylate
SMILESCC(C)N1C[C@H]([Si](C)(C)C)N(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H30N2O2Si/c1-11(2)15-9-12(19(6,7)8)16(10-15)13(17)18-14(3,4)5/h11-12H,9-10H2,1-8H3/t12-/m0/s1
InChIKeyBVUPGBVIHSENPJ-LBPRGKRZSA-N
MW286.49 g/mol
LogP3.15
Rot. Bonds2

About tert-butyl (5S)-3-propan-2-yl-5-trimethylsilylimidazolidine-1-carboxylate

tert-butyl (5S)-3-propan-2-yl-5-trimethylsilylimidazolidine-1-carboxylate (PubChem CID 101159864) has the molecular formula C14H30N2O2Si and a molecular weight of 286.49 g/mol. Its IUPAC name is tert-butyl (5S)-3-propan-2-yl-5-trimethylsilylimidazolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (5S)-3-propan-2-yl-5-trimethylsilylimidazolidine-1-carboxylate
PubChem CID101159864
Molecular FormulaC14H30N2O2Si
Molecular Weight286.49 g/mol
Exact Mass286.21
IUPAC Nametert-butyl (5S)-3-propan-2-yl-5-trimethylsilylimidazolidine-1-carboxylate
SMILESCC(C)N1C[C@H]([Si](C)(C)C)N(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H30N2O2Si/c1-11(2)15-9-12(19(6,7)8)16(10-15)13(17)18-14(3,4)5/h11-12H,9-10H2,1-8H3/t12-/m0/s1
InChIKeyBVUPGBVIHSENPJ-LBPRGKRZSA-N
XLogP3.15
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.49
LogP ≤ 53.15
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 (5S)-3-propan-2-yl-5-trimethylsilylimidazolidine-1-carboxylate?
The IUPAC name of tert-butyl (5S)-3-propan-2-yl-5-trimethylsilylimidazolidine-1-carboxylate (CID 101159864) is tert-butyl (5S)-3-propan-2-yl-5-trimethylsilylimidazolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (5S)-3-propan-2-yl-5-trimethylsilylimidazolidine-1-carboxylate?
The canonical SMILES for tert-butyl (5S)-3-propan-2-yl-5-trimethylsilylimidazolidine-1-carboxylate is CC(C)N1C[C@H]([Si](C)(C)C)N(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl (5S)-3-propan-2-yl-5-trimethylsilylimidazolidine-1-carboxylate?
The InChIKey is BVUPGBVIHSENPJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H30N2O2Si/c1-11(2)15-9-12(19(6,7)8)16(10-15)13(17)18-14(3,4)5/h11-12H,9-10H2,1-8H3/t12-/m0/s1.
What are the key properties of tert-butyl (5S)-3-propan-2-yl-5-trimethylsilylimidazolidine-1-carboxylate?
tert-butyl (5S)-3-propan-2-yl-5-trimethylsilylimidazolidine-1-carboxylate has a molecular weight of 286.49 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (5S)-3-propan-2-yl-5-trimethylsilylimidazolidine-1-carboxylate is sourced from PubChem (CID 101159864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).