tert-butyl N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-oxopropan-2-yl]carbamate

C15H31NO4Si — CID 23651314

IUPACtert-butyl N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-oxopropan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@](C)(C=O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H31NO4Si/c1-13(2,3)20-12(18)16-15(7,10-17)11-19-21(8,9)14(4,5)6/h10H,11H2,1-9H3,(H,16,18)/t15-/m0/s1
InChIKeyXKAURNAJCMIZPT-HNNXBMFYSA-N
MW317.50 g/mol
LogP3.49
Rot. Bonds5

About tert-butyl N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-oxopropan-2-yl]carbamate

tert-butyl N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-oxopropan-2-yl]carbamate (PubChem CID 23651314) has the molecular formula C15H31NO4Si and a molecular weight of 317.50 g/mol. Its IUPAC name is tert-butyl N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-oxopropan-2-yl]carbamate
PubChem CID23651314
Molecular FormulaC15H31NO4Si
Molecular Weight317.50 g/mol
Exact Mass317.20
IUPAC Nametert-butyl N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-oxopropan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@](C)(C=O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H31NO4Si/c1-13(2,3)20-12(18)16-15(7,10-17)11-19-21(8,9)14(4,5)6/h10H,11H2,1-9H3,(H,16,18)/t15-/m0/s1
InChIKeyXKAURNAJCMIZPT-HNNXBMFYSA-N
XLogP3.49
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.50
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-oxopropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-oxopropan-2-yl]carbamate (CID 23651314) is tert-butyl N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-oxopropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-oxopropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-oxopropan-2-yl]carbamate is CC(C)(C)OC(=O)N[C@@](C)(C=O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-oxopropan-2-yl]carbamate?
The InChIKey is XKAURNAJCMIZPT-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H31NO4Si/c1-13(2,3)20-12(18)16-15(7,10-17)11-19-21(8,9)14(4,5)6/h10H,11H2,1-9H3,(H,16,18)/t15-/m0/s1.
What are the key properties of tert-butyl N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-oxopropan-2-yl]carbamate?
tert-butyl N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-oxopropan-2-yl]carbamate has a molecular weight of 317.50 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-oxopropan-2-yl]carbamate is sourced from PubChem (CID 23651314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).