(E,2S,3S,4R)-N,3-dimethoxy-2,4,5-tris(trimethylsilyloxy)pentan-1-imine

C16H39NO5Si3 — CID 20845407

IUPAC(E,2S,3S,4R)-N,3-dimethoxy-2,4,5-tris(trimethylsilyloxy)pentan-1-imine
SMILESCO/N=C/[C@H](O[Si](C)(C)C)[C@H](OC)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C16H39NO5Si3/c1-18-16(14(12-17-19-2)21-24(6,7)8)15(22-25(9,10)11)13-20-23(3,4)5/h12,14-16H,13H2,1-11H3/b17-12+/t14-,15+,16-/m0/s1
InChIKeyXFTDTOSLXSCVFT-ZMUYCKRWSA-N
MW409.75 g/mol
LogP3.93
Rot. Bonds12

About (E,2S,3S,4R)-N,3-dimethoxy-2,4,5-tris(trimethylsilyloxy)pentan-1-imine

(E,2S,3S,4R)-N,3-dimethoxy-2,4,5-tris(trimethylsilyloxy)pentan-1-imine (PubChem CID 20845407) has the molecular formula C16H39NO5Si3 and a molecular weight of 409.75 g/mol. Its IUPAC name is (E,2S,3S,4R)-N,3-dimethoxy-2,4,5-tris(trimethylsilyloxy)pentan-1-imine.

Molecular Properties

Compound Name(E,2S,3S,4R)-N,3-dimethoxy-2,4,5-tris(trimethylsilyloxy)pentan-1-imine
PubChem CID20845407
Molecular FormulaC16H39NO5Si3
Molecular Weight409.75 g/mol
Exact Mass409.21
IUPAC Name(E,2S,3S,4R)-N,3-dimethoxy-2,4,5-tris(trimethylsilyloxy)pentan-1-imine
SMILESCO/N=C/[C@H](O[Si](C)(C)C)[C@H](OC)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C16H39NO5Si3/c1-18-16(14(12-17-19-2)21-24(6,7)8)15(22-25(9,10)11)13-20-23(3,4)5/h12,14-16H,13H2,1-11H3/b17-12+/t14-,15+,16-/m0/s1
InChIKeyXFTDTOSLXSCVFT-ZMUYCKRWSA-N
XLogP3.93
TPSA58.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.75
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of (E,2S,3S,4R)-N,3-dimethoxy-2,4,5-tris(trimethylsilyloxy)pentan-1-imine?
The IUPAC name of (E,2S,3S,4R)-N,3-dimethoxy-2,4,5-tris(trimethylsilyloxy)pentan-1-imine (CID 20845407) is (E,2S,3S,4R)-N,3-dimethoxy-2,4,5-tris(trimethylsilyloxy)pentan-1-imine.
What is the SMILES notation for (E,2S,3S,4R)-N,3-dimethoxy-2,4,5-tris(trimethylsilyloxy)pentan-1-imine?
The canonical SMILES for (E,2S,3S,4R)-N,3-dimethoxy-2,4,5-tris(trimethylsilyloxy)pentan-1-imine is CO/N=C/[C@H](O[Si](C)(C)C)[C@H](OC)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of (E,2S,3S,4R)-N,3-dimethoxy-2,4,5-tris(trimethylsilyloxy)pentan-1-imine?
The InChIKey is XFTDTOSLXSCVFT-ZMUYCKRWSA-N. The full InChI is InChI=1S/C16H39NO5Si3/c1-18-16(14(12-17-19-2)21-24(6,7)8)15(22-25(9,10)11)13-20-23(3,4)5/h12,14-16H,13H2,1-11H3/b17-12+/t14-,15+,16-/m0/s1.
What are the key properties of (E,2S,3S,4R)-N,3-dimethoxy-2,4,5-tris(trimethylsilyloxy)pentan-1-imine?
(E,2S,3S,4R)-N,3-dimethoxy-2,4,5-tris(trimethylsilyloxy)pentan-1-imine has a molecular weight of 409.75 g/mol, XLogP of 3.93, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2S,3S,4R)-N,3-dimethoxy-2,4,5-tris(trimethylsilyloxy)pentan-1-imine is sourced from PubChem (CID 20845407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).