tert-butyl (2R)-6-oxo-3,3-diphenyl-2-propyl-1,3-azasilinane-1-carboxylate

C24H31NO3Si — CID 46221432

IUPACtert-butyl (2R)-6-oxo-3,3-diphenyl-2-propyl-1,3-azasilinane-1-carboxylate
SMILESCCC[C@@H]1N(C(=O)OC(C)(C)C)C(=O)CC[Si]1(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H31NO3Si/c1-5-12-22-25(23(27)28-24(2,3)4)21(26)17-18-29(22,19-13-8-6-9-14-19)20-15-10-7-11-16-20/h6-11,13-16,22H,5,12,17-18H2,1-4H3/t22-/m1/s1
InChIKeyBKGAGCBVDPPGHM-JOCHJYFZSA-N
MW409.60 g/mol
LogP4.12
Rot. Bonds4

About tert-butyl (2R)-6-oxo-3,3-diphenyl-2-propyl-1,3-azasilinane-1-carboxylate

tert-butyl (2R)-6-oxo-3,3-diphenyl-2-propyl-1,3-azasilinane-1-carboxylate (PubChem CID 46221432) has the molecular formula C24H31NO3Si and a molecular weight of 409.60 g/mol. Its IUPAC name is tert-butyl (2R)-6-oxo-3,3-diphenyl-2-propyl-1,3-azasilinane-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-6-oxo-3,3-diphenyl-2-propyl-1,3-azasilinane-1-carboxylate
PubChem CID46221432
Molecular FormulaC24H31NO3Si
Molecular Weight409.60 g/mol
Exact Mass409.21
IUPAC Nametert-butyl (2R)-6-oxo-3,3-diphenyl-2-propyl-1,3-azasilinane-1-carboxylate
SMILESCCC[C@@H]1N(C(=O)OC(C)(C)C)C(=O)CC[Si]1(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H31NO3Si/c1-5-12-22-25(23(27)28-24(2,3)4)21(26)17-18-29(22,19-13-8-6-9-14-19)20-15-10-7-11-16-20/h6-11,13-16,22H,5,12,17-18H2,1-4H3/t22-/m1/s1
InChIKeyBKGAGCBVDPPGHM-JOCHJYFZSA-N
XLogP4.12
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.60
LogP ≤ 54.12
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 (2R)-6-oxo-3,3-diphenyl-2-propyl-1,3-azasilinane-1-carboxylate?
The IUPAC name of tert-butyl (2R)-6-oxo-3,3-diphenyl-2-propyl-1,3-azasilinane-1-carboxylate (CID 46221432) is tert-butyl (2R)-6-oxo-3,3-diphenyl-2-propyl-1,3-azasilinane-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-6-oxo-3,3-diphenyl-2-propyl-1,3-azasilinane-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-6-oxo-3,3-diphenyl-2-propyl-1,3-azasilinane-1-carboxylate is CCC[C@@H]1N(C(=O)OC(C)(C)C)C(=O)CC[Si]1(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl (2R)-6-oxo-3,3-diphenyl-2-propyl-1,3-azasilinane-1-carboxylate?
The InChIKey is BKGAGCBVDPPGHM-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H31NO3Si/c1-5-12-22-25(23(27)28-24(2,3)4)21(26)17-18-29(22,19-13-8-6-9-14-19)20-15-10-7-11-16-20/h6-11,13-16,22H,5,12,17-18H2,1-4H3/t22-/m1/s1.
What are the key properties of tert-butyl (2R)-6-oxo-3,3-diphenyl-2-propyl-1,3-azasilinane-1-carboxylate?
tert-butyl (2R)-6-oxo-3,3-diphenyl-2-propyl-1,3-azasilinane-1-carboxylate has a molecular weight of 409.60 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-6-oxo-3,3-diphenyl-2-propyl-1,3-azasilinane-1-carboxylate is sourced from PubChem (CID 46221432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).