N-[(2R,4S)-4-[tert-butyl(diphenyl)silyl]oxy-2-phenylmethoxyhex-5-enylidene]hydroxylamine

C29H35NO3Si — CID 144825925

IUPACN-[(2R,4S)-4-[tert-butyl(diphenyl)silyl]oxy-2-phenylmethoxyhex-5-enylidene]hydroxylamine
SMILESC=C[C@H](C[C@H](C=NO)OCc1ccccc1)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C29H35NO3Si/c1-5-25(21-26(22-30-31)32-23-24-15-9-6-10-16-24)33-34(29(2,3)4,27-17-11-7-12-18-27)28-19-13-8-14-20-28/h5-20,22,25-26,31H,1,21,23H2,2-4H3/t25-,26-/m1/s1
InChIKeyOMBILKJBMGGZOK-CLJLJLNGSA-N
MW473.69 g/mol
LogP5.55
Rot. Bonds11

About N-[(2R,4S)-4-[tert-butyl(diphenyl)silyl]oxy-2-phenylmethoxyhex-5-enylidene]hydroxylamine

N-[(2R,4S)-4-[tert-butyl(diphenyl)silyl]oxy-2-phenylmethoxyhex-5-enylidene]hydroxylamine (PubChem CID 144825925) has the molecular formula C29H35NO3Si and a molecular weight of 473.69 g/mol. Its IUPAC name is N-[(2R,4S)-4-[tert-butyl(diphenyl)silyl]oxy-2-phenylmethoxyhex-5-enylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(2R,4S)-4-[tert-butyl(diphenyl)silyl]oxy-2-phenylmethoxyhex-5-enylidene]hydroxylamine
PubChem CID144825925
Molecular FormulaC29H35NO3Si
Molecular Weight473.69 g/mol
Exact Mass473.24
IUPAC NameN-[(2R,4S)-4-[tert-butyl(diphenyl)silyl]oxy-2-phenylmethoxyhex-5-enylidene]hydroxylamine
SMILESC=C[C@H](C[C@H](C=NO)OCc1ccccc1)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C29H35NO3Si/c1-5-25(21-26(22-30-31)32-23-24-15-9-6-10-16-24)33-34(29(2,3)4,27-17-11-7-12-18-27)28-19-13-8-14-20-28/h5-20,22,25-26,31H,1,21,23H2,2-4H3/t25-,26-/m1/s1
InChIKeyOMBILKJBMGGZOK-CLJLJLNGSA-N
XLogP5.55
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.69
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'oxime_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 N-[(2R,4S)-4-[tert-butyl(diphenyl)silyl]oxy-2-phenylmethoxyhex-5-enylidene]hydroxylamine?
The IUPAC name of N-[(2R,4S)-4-[tert-butyl(diphenyl)silyl]oxy-2-phenylmethoxyhex-5-enylidene]hydroxylamine (CID 144825925) is N-[(2R,4S)-4-[tert-butyl(diphenyl)silyl]oxy-2-phenylmethoxyhex-5-enylidene]hydroxylamine.
What is the SMILES notation for N-[(2R,4S)-4-[tert-butyl(diphenyl)silyl]oxy-2-phenylmethoxyhex-5-enylidene]hydroxylamine?
The canonical SMILES for N-[(2R,4S)-4-[tert-butyl(diphenyl)silyl]oxy-2-phenylmethoxyhex-5-enylidene]hydroxylamine is C=C[C@H](C[C@H](C=NO)OCc1ccccc1)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of N-[(2R,4S)-4-[tert-butyl(diphenyl)silyl]oxy-2-phenylmethoxyhex-5-enylidene]hydroxylamine?
The InChIKey is OMBILKJBMGGZOK-CLJLJLNGSA-N. The full InChI is InChI=1S/C29H35NO3Si/c1-5-25(21-26(22-30-31)32-23-24-15-9-6-10-16-24)33-34(29(2,3)4,27-17-11-7-12-18-27)28-19-13-8-14-20-28/h5-20,22,25-26,31H,1,21,23H2,2-4H3/t25-,26-/m1/s1.
What are the key properties of N-[(2R,4S)-4-[tert-butyl(diphenyl)silyl]oxy-2-phenylmethoxyhex-5-enylidene]hydroxylamine?
N-[(2R,4S)-4-[tert-butyl(diphenyl)silyl]oxy-2-phenylmethoxyhex-5-enylidene]hydroxylamine has a molecular weight of 473.69 g/mol, XLogP of 5.55, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,4S)-4-[tert-butyl(diphenyl)silyl]oxy-2-phenylmethoxyhex-5-enylidene]hydroxylamine is sourced from PubChem (CID 144825925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).