(E)-N-phenylmethoxy-2,3,4-tris(trimethylsilyloxy)butan-1-imine

C20H39NO4Si3 — CID 14767957

IUPAC(E)-N-phenylmethoxy-2,3,4-tris(trimethylsilyloxy)butan-1-imine
SMILESC[Si](C)(C)OCC(O[Si](C)(C)C)C(/C=N/OCc1ccccc1)O[Si](C)(C)C
InChIInChI=1S/C20H39NO4Si3/c1-26(2,3)23-17-20(25-28(7,8)9)19(24-27(4,5)6)15-21-22-16-18-13-11-10-12-14-18/h10-15,19-20H,16-17H2,1-9H3/b21-15+
InChIKeyNESSSEJYAHXPJT-RCCKNPSSSA-N
MW441.79 g/mol
LogP5.48
Rot. Bonds12

About (E)-N-phenylmethoxy-2,3,4-tris(trimethylsilyloxy)butan-1-imine

(E)-N-phenylmethoxy-2,3,4-tris(trimethylsilyloxy)butan-1-imine (PubChem CID 14767957) has the molecular formula C20H39NO4Si3 and a molecular weight of 441.79 g/mol. Its IUPAC name is (E)-N-phenylmethoxy-2,3,4-tris(trimethylsilyloxy)butan-1-imine.

Molecular Properties

Compound Name(E)-N-phenylmethoxy-2,3,4-tris(trimethylsilyloxy)butan-1-imine
PubChem CID14767957
Molecular FormulaC20H39NO4Si3
Molecular Weight441.79 g/mol
Exact Mass441.22
IUPAC Name(E)-N-phenylmethoxy-2,3,4-tris(trimethylsilyloxy)butan-1-imine
SMILESC[Si](C)(C)OCC(O[Si](C)(C)C)C(/C=N/OCc1ccccc1)O[Si](C)(C)C
InChIInChI=1S/C20H39NO4Si3/c1-26(2,3)23-17-20(25-28(7,8)9)19(24-27(4,5)6)15-21-22-16-18-13-11-10-12-14-18/h10-15,19-20H,16-17H2,1-9H3/b21-15+
InChIKeyNESSSEJYAHXPJT-RCCKNPSSSA-N
XLogP5.48
TPSA49.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.79
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-phenylmethoxy-2,3,4,5-tetrakis(trimethylsilyloxy)hexan-1-imine
CID 91709819
(E,2S,3S,4R)-N,3-dimethoxy-2,4,5-tris(trimethylsilyloxy)pentan-1-imine
CID 20845407
(2R,3S,4S,5Z)-1,3,4-trimethoxy-5-phenylmethoxyiminopentan-2-ol
CID 118336506
(E)-2-methyl-4-phenyl-N-phenylmethoxybutan-1-imine
CID 134997291
[(2R,4S)-1,5-bis(phenylmethoxy)-4-trimethylsilyloxypentan-2-yl]oxy-trimethylsilane
CID 134878735
(2R,3R,4R,5E)-1,3,4-tris(phenylmethoxy)-5-phenylmethoxyiminopentan-2-ol
CID 10602182
[(2R)-1-chloro-3-phenylmethoxypropan-2-yl]oxy-trimethylsilane
CID 71446134
ethyl (4E)-2-ethyl-3-hydroxy-4-phenylmethoxyiminobutanoate
CID 177474730
[(2R,3R,4S)-2,3,4-tribenzoyloxy-5-phenylmethoxyiminopentyl] benzoate
CID 131883942
1-(5-methylfuran-2-yl)-N-phenylmethoxymethanimine
CID 75859441
(Z,1R,2S)-1,6-diphenyl-2-(trimethylsilyloxymethyl)hex-3-en-1-ol
CID 46191963
(Z)-2,2,2-trichloro-N-phenylmethoxyethanimine
CID 11807168

Frequently Asked Questions

What is the IUPAC name of (E)-N-phenylmethoxy-2,3,4-tris(trimethylsilyloxy)butan-1-imine?
The IUPAC name of (E)-N-phenylmethoxy-2,3,4-tris(trimethylsilyloxy)butan-1-imine (CID 14767957) is (E)-N-phenylmethoxy-2,3,4-tris(trimethylsilyloxy)butan-1-imine.
What is the SMILES notation for (E)-N-phenylmethoxy-2,3,4-tris(trimethylsilyloxy)butan-1-imine?
The canonical SMILES for (E)-N-phenylmethoxy-2,3,4-tris(trimethylsilyloxy)butan-1-imine is C[Si](C)(C)OCC(O[Si](C)(C)C)C(/C=N/OCc1ccccc1)O[Si](C)(C)C.
What is the InChIKey of (E)-N-phenylmethoxy-2,3,4-tris(trimethylsilyloxy)butan-1-imine?
The InChIKey is NESSSEJYAHXPJT-RCCKNPSSSA-N. The full InChI is InChI=1S/C20H39NO4Si3/c1-26(2,3)23-17-20(25-28(7,8)9)19(24-27(4,5)6)15-21-22-16-18-13-11-10-12-14-18/h10-15,19-20H,16-17H2,1-9H3/b21-15+.
What are the key properties of (E)-N-phenylmethoxy-2,3,4-tris(trimethylsilyloxy)butan-1-imine?
(E)-N-phenylmethoxy-2,3,4-tris(trimethylsilyloxy)butan-1-imine has a molecular weight of 441.79 g/mol, XLogP of 5.48, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-phenylmethoxy-2,3,4-tris(trimethylsilyloxy)butan-1-imine is sourced from PubChem (CID 14767957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).