N-[tert-butyl(dimethyl)silyl]oxypropan-1-imine oxide

C9H21NO2Si — CID 57353504

IUPACN-[tert-butyl(dimethyl)silyl]oxypropan-1-imine oxide
SMILESCCC=[N+]([O-])O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C9H21NO2Si/c1-7-8-10(11)12-13(5,6)9(2,3)4/h8H,7H2,1-6H3
InChIKeyZUKJQUJCBNUOOT-UHFFFAOYSA-N
MW203.36 g/mol
LogP2.91
Rot. Bonds3

About N-[tert-butyl(dimethyl)silyl]oxypropan-1-imine oxide

N-[tert-butyl(dimethyl)silyl]oxypropan-1-imine oxide (PubChem CID 57353504) has the molecular formula C9H21NO2Si and a molecular weight of 203.36 g/mol. Its IUPAC name is N-[tert-butyl(dimethyl)silyl]oxypropan-1-imine oxide.

Molecular Properties

Compound NameN-[tert-butyl(dimethyl)silyl]oxypropan-1-imine oxide
PubChem CID57353504
Molecular FormulaC9H21NO2Si
Molecular Weight203.36 g/mol
Exact Mass203.13
IUPAC NameN-[tert-butyl(dimethyl)silyl]oxypropan-1-imine oxide
SMILESCCC=[N+]([O-])O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C9H21NO2Si/c1-7-8-10(11)12-13(5,6)9(2,3)4/h8H,7H2,1-6H3
InChIKeyZUKJQUJCBNUOOT-UHFFFAOYSA-N
XLogP2.91
TPSA35.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.36
LogP ≤ 52.91
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[tert-butyl(dimethyl)silyl]oxyhexan-1-imine oxide
CID 12731070
bis[[tert-butyl(dimethyl)silyl]oxy]-ethylideneazanium
CID 23727145
2-[tert-butyl(dimethyl)silyl]oxypent-2-enal
CID 150347977
N-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoropropan-2-imine oxide
CID 10999712
bis[[tert-butyl(dimethyl)silyl]oxy]-ethylideneazanium;trifluoromethanesulfonate
CID 23727144
tert-butyl-[5-[tert-butyl(dimethyl)silyl]peroxy-2,5-dimethylhexan-2-yl]peroxy-dimethylsilane
CID 171490733
tert-butyl-[6-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-dienoxy]-dimethylsilane
CID 123215238
tert-butyl-(4-methoxybuta-1,3-dienoxy)-dimethylsilane
CID 173308840
tert-butyl-dimethyl-[(Z)-non-6-enoxy]silane
CID 59602006
tert-butyl-dimethyl-[(E)-2-methylidenehex-3-enoxy]silane
CID 11229887
(2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-2-nitrohexan-3-ol
CID 11514635
tert-butyl-(chloromethoxy)-dimethylsilane
CID 14145745

Frequently Asked Questions

What is the IUPAC name of N-[tert-butyl(dimethyl)silyl]oxypropan-1-imine oxide?
The IUPAC name of N-[tert-butyl(dimethyl)silyl]oxypropan-1-imine oxide (CID 57353504) is N-[tert-butyl(dimethyl)silyl]oxypropan-1-imine oxide.
What is the SMILES notation for N-[tert-butyl(dimethyl)silyl]oxypropan-1-imine oxide?
The canonical SMILES for N-[tert-butyl(dimethyl)silyl]oxypropan-1-imine oxide is CCC=[N+]([O-])O[Si](C)(C)C(C)(C)C.
What is the InChIKey of N-[tert-butyl(dimethyl)silyl]oxypropan-1-imine oxide?
The InChIKey is ZUKJQUJCBNUOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2Si/c1-7-8-10(11)12-13(5,6)9(2,3)4/h8H,7H2,1-6H3.
What are the key properties of N-[tert-butyl(dimethyl)silyl]oxypropan-1-imine oxide?
N-[tert-butyl(dimethyl)silyl]oxypropan-1-imine oxide has a molecular weight of 203.36 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[tert-butyl(dimethyl)silyl]oxypropan-1-imine oxide is sourced from PubChem (CID 57353504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).