O-[(E)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbut-2-enyl]hydroxylamine

C21H29NO2Si — CID 24808385

IUPACO-[(E)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbut-2-enyl]hydroxylamine
SMILESC/C(=C\CON)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C21H29NO2Si/c1-18(15-16-23-22)17-24-25(21(2,3)4,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-15H,16-17,22H2,1-4H3/b18-15+
InChIKeyMYQMXMJSNJHAJN-OBGWFSINSA-N
MW355.55 g/mol
LogP3.40
Rot. Bonds7

About O-[(E)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbut-2-enyl]hydroxylamine

O-[(E)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbut-2-enyl]hydroxylamine (PubChem CID 24808385) has the molecular formula C21H29NO2Si and a molecular weight of 355.55 g/mol. Its IUPAC name is O-[(E)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbut-2-enyl]hydroxylamine.

Molecular Properties

Compound NameO-[(E)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbut-2-enyl]hydroxylamine
PubChem CID24808385
Molecular FormulaC21H29NO2Si
Molecular Weight355.55 g/mol
Exact Mass355.20
IUPAC NameO-[(E)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbut-2-enyl]hydroxylamine
SMILESC/C(=C\CON)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C21H29NO2Si/c1-18(15-16-23-22)17-24-25(21(2,3)4,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-15H,16-17,22H2,1-4H3/b18-15+
InChIKeyMYQMXMJSNJHAJN-OBGWFSINSA-N
XLogP3.40
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.55
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbut-2-en-1-ol
CID 46192380
tert-butyl-[(Z)-2-methylhex-2-enoxy]-diphenylsilane
CID 71217058
[4-[tert-butyl(diphenyl)silyl]oxy-3-methylbut-2-enyl] dihydrogen phosphate
CID 175564241
tert-butyl-[(E)-2-methyldec-2-enoxy]-diphenylsilane
CID 135032541
tert-butyl-[(Z,6S)-6-methoxy-2-methyloct-2-en-7-ynoxy]-diphenylsilane
CID 53375456
2-[tert-butyl(diphenyl)silyl]oxyacetic acid
CID 11141564
tert-butyl-(2-chloroprop-2-enoxy)-diphenylsilane
CID 138969032
tert-butyl-(8-chloro-3,7-dimethylocta-2,6-dienoxy)-diphenylsilane
CID 72997103
(E)-5-[tert-butyl(diphenyl)silyl]oxy-3-methylpent-2-en-1-ol
CID 135030069
(Z,2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-6-[tert-butyl(diphenyl)silyl]oxy-2,5-dimethylhex-4-en-3-ol
CID 11598732
tert-butyl-[(2E,6Z)-7-methoxy-3-methylhepta-2,6-dienoxy]-diphenylsilane
CID 10763220
tert-butyl-[(E)-5-[(2R)-3,3-dimethyloxiran-2-yl]-3-methylpent-2-enoxy]-diphenylsilane
CID 100941395

Frequently Asked Questions

What is the IUPAC name of O-[(E)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbut-2-enyl]hydroxylamine?
The IUPAC name of O-[(E)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbut-2-enyl]hydroxylamine (CID 24808385) is O-[(E)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbut-2-enyl]hydroxylamine.
What is the SMILES notation for O-[(E)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbut-2-enyl]hydroxylamine?
The canonical SMILES for O-[(E)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbut-2-enyl]hydroxylamine is C/C(=C\CON)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of O-[(E)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbut-2-enyl]hydroxylamine?
The InChIKey is MYQMXMJSNJHAJN-OBGWFSINSA-N. The full InChI is InChI=1S/C21H29NO2Si/c1-18(15-16-23-22)17-24-25(21(2,3)4,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-15H,16-17,22H2,1-4H3/b18-15+.
What are the key properties of O-[(E)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbut-2-enyl]hydroxylamine?
O-[(E)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbut-2-enyl]hydroxylamine has a molecular weight of 355.55 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(E)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbut-2-enyl]hydroxylamine is sourced from PubChem (CID 24808385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).