(E,2S)-2-[tert-butyl(dimethyl)silyl]oxy-N-trimethylsilylpropan-1-imine

C12H29NOSi2 — CID 11747325

IUPAC(E,2S)-2-[tert-butyl(dimethyl)silyl]oxy-N-trimethylsilylpropan-1-imine
SMILESC[C@@H](/C=N/[Si](C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H29NOSi2/c1-11(10-13-15(5,6)7)14-16(8,9)12(2,3)4/h10-11H,1-9H3/b13-10+/t11-/m0/s1
InChIKeyIHDJKGQRNZTCAN-CDDSVFCYSA-N
MW259.54 g/mol
LogP4.30
Rot. Bonds4

About (E,2S)-2-[tert-butyl(dimethyl)silyl]oxy-N-trimethylsilylpropan-1-imine

(E,2S)-2-[tert-butyl(dimethyl)silyl]oxy-N-trimethylsilylpropan-1-imine (PubChem CID 11747325) has the molecular formula C12H29NOSi2 and a molecular weight of 259.54 g/mol. Its IUPAC name is (E,2S)-2-[tert-butyl(dimethyl)silyl]oxy-N-trimethylsilylpropan-1-imine.

Molecular Properties

Compound Name(E,2S)-2-[tert-butyl(dimethyl)silyl]oxy-N-trimethylsilylpropan-1-imine
PubChem CID11747325
Molecular FormulaC12H29NOSi2
Molecular Weight259.54 g/mol
Exact Mass259.18
IUPAC Name(E,2S)-2-[tert-butyl(dimethyl)silyl]oxy-N-trimethylsilylpropan-1-imine
SMILESC[C@@H](/C=N/[Si](C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H29NOSi2/c1-11(10-13-15(5,6)7)14-16(8,9)12(2,3)4/h10-11H,1-9H3/b13-10+/t11-/m0/s1
InChIKeyIHDJKGQRNZTCAN-CDDSVFCYSA-N
XLogP4.30
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.54
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E,2S)-2-[tert-butyl(dimethyl)silyl]oxy-N-trimethylsilylpropan-1-imine?
The IUPAC name of (E,2S)-2-[tert-butyl(dimethyl)silyl]oxy-N-trimethylsilylpropan-1-imine (CID 11747325) is (E,2S)-2-[tert-butyl(dimethyl)silyl]oxy-N-trimethylsilylpropan-1-imine.
What is the SMILES notation for (E,2S)-2-[tert-butyl(dimethyl)silyl]oxy-N-trimethylsilylpropan-1-imine?
The canonical SMILES for (E,2S)-2-[tert-butyl(dimethyl)silyl]oxy-N-trimethylsilylpropan-1-imine is C[C@@H](/C=N/[Si](C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E,2S)-2-[tert-butyl(dimethyl)silyl]oxy-N-trimethylsilylpropan-1-imine?
The InChIKey is IHDJKGQRNZTCAN-CDDSVFCYSA-N. The full InChI is InChI=1S/C12H29NOSi2/c1-11(10-13-15(5,6)7)14-16(8,9)12(2,3)4/h10-11H,1-9H3/b13-10+/t11-/m0/s1.
What are the key properties of (E,2S)-2-[tert-butyl(dimethyl)silyl]oxy-N-trimethylsilylpropan-1-imine?
(E,2S)-2-[tert-butyl(dimethyl)silyl]oxy-N-trimethylsilylpropan-1-imine has a molecular weight of 259.54 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2S)-2-[tert-butyl(dimethyl)silyl]oxy-N-trimethylsilylpropan-1-imine is sourced from PubChem (CID 11747325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).