(E,2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-N-trimethylsilylpropan-1-imine

C13H31NOSi2 — CID 11108529

IUPAC(E,2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-N-trimethylsilylpropan-1-imine
SMILESC[C@@H](/C=N/[Si](C)(C)C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H31NOSi2/c1-12(10-14-16(5,6)7)11-15-17(8,9)13(2,3)4/h10,12H,11H2,1-9H3/b14-10+/t12-/m0/s1
InChIKeyKBZQGVZWUMHFNL-LQELWAHVSA-N
MW273.57 g/mol
LogP4.55
Rot. Bonds5

About (E,2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-N-trimethylsilylpropan-1-imine

(E,2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-N-trimethylsilylpropan-1-imine (PubChem CID 11108529) has the molecular formula C13H31NOSi2 and a molecular weight of 273.57 g/mol. Its IUPAC name is (E,2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-N-trimethylsilylpropan-1-imine.

Molecular Properties

Compound Name(E,2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-N-trimethylsilylpropan-1-imine
PubChem CID11108529
Molecular FormulaC13H31NOSi2
Molecular Weight273.57 g/mol
Exact Mass273.19
IUPAC Name(E,2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-N-trimethylsilylpropan-1-imine
SMILESC[C@@H](/C=N/[Si](C)(C)C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H31NOSi2/c1-12(10-14-16(5,6)7)11-15-17(8,9)13(2,3)4/h10,12H,11H2,1-9H3/b14-10+/t12-/m0/s1
InChIKeyKBZQGVZWUMHFNL-LQELWAHVSA-N
XLogP4.55
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.57
LogP ≤ 54.55
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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Related Compounds

tert-butyl-dimethyl-[(E)-2-methylpent-3-enoxy]silane
CID 121002381
tert-butyl-[(E)-4-iodo-2-methylbut-3-enoxy]-dimethylsilane
CID 101405389
(E,2S)-2-[tert-butyl(dimethyl)silyl]oxy-N-trimethylsilylpropan-1-imine
CID 11747325
1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-ol
CID 14336173
tert-butyl-[(2S)-2-fluoropropoxy]-dimethylsilane
CID 141238974
1-[tert-butyl(dimethyl)silyl]oxypropan-2-ol
CID 13175134
ethyl (E,4R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-2-enoate
CID 24755951
tert-butyl-dimethyl-[(2S)-2-methylbutoxy]silane
CID 133082116
(2R,3R,4R,5R)-1,6-bis[[tert-butyl(dimethyl)silyl]oxy]hexane-2,3,4,5-tetrol
CID 11486689
[2-bromo-3-[tert-butyl(dimethyl)silyl]oxypropoxy]-tert-butyl-dimethylsilane
CID 125380572
1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-amine
CID 53427177
tert-butyl-[(2S,3S,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethenyl-3,4-dimethylhept-6-enoxy]-dimethylsilane
CID 11102001

Frequently Asked Questions

What is the IUPAC name of (E,2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-N-trimethylsilylpropan-1-imine?
The IUPAC name of (E,2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-N-trimethylsilylpropan-1-imine (CID 11108529) is (E,2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-N-trimethylsilylpropan-1-imine.
What is the SMILES notation for (E,2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-N-trimethylsilylpropan-1-imine?
The canonical SMILES for (E,2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-N-trimethylsilylpropan-1-imine is C[C@@H](/C=N/[Si](C)(C)C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E,2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-N-trimethylsilylpropan-1-imine?
The InChIKey is KBZQGVZWUMHFNL-LQELWAHVSA-N. The full InChI is InChI=1S/C13H31NOSi2/c1-12(10-14-16(5,6)7)11-15-17(8,9)13(2,3)4/h10,12H,11H2,1-9H3/b14-10+/t12-/m0/s1.
What are the key properties of (E,2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-N-trimethylsilylpropan-1-imine?
(E,2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-N-trimethylsilylpropan-1-imine has a molecular weight of 273.57 g/mol, XLogP of 4.55, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-N-trimethylsilylpropan-1-imine is sourced from PubChem (CID 11108529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).