(NE)-N-[1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-phenylethylidene]hydroxylamine

C20H27NO2Si — CID 59857614

IUPAC(NE)-N-[1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-phenylethylidene]hydroxylamine
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(/C(Cc2ccccc2)=N/O)cc1
InChIInChI=1S/C20H27NO2Si/c1-20(2,3)24(4,5)23-18-13-11-17(12-14-18)19(21-22)15-16-9-7-6-8-10-16/h6-14,22H,15H2,1-5H3/b21-19+
InChIKeyKOMVUDHAVCHMPF-XUTLUUPISA-N
MW341.53 g/mol
LogP5.49
Rot. Bonds5

About (NE)-N-[1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-phenylethylidene]hydroxylamine

(NE)-N-[1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-phenylethylidene]hydroxylamine (PubChem CID 59857614) has the molecular formula C20H27NO2Si and a molecular weight of 341.53 g/mol. Its IUPAC name is (NE)-N-[1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-phenylethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-phenylethylidene]hydroxylamine
PubChem CID59857614
Molecular FormulaC20H27NO2Si
Molecular Weight341.53 g/mol
Exact Mass341.18
IUPAC Name(NE)-N-[1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-phenylethylidene]hydroxylamine
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(/C(Cc2ccccc2)=N/O)cc1
InChIInChI=1S/C20H27NO2Si/c1-20(2,3)24(4,5)23-18-13-11-17(12-14-18)19(21-22)15-16-9-7-6-8-10-16/h6-14,22H,15H2,1-5H3/b21-19+
InChIKeyKOMVUDHAVCHMPF-XUTLUUPISA-N
XLogP5.49
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.53
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(NE)-N-[1-(4-methoxyphenyl)-2-phenylethylidene]hydroxylamine
CID 10060245
tert-butyl-dimethyl-(4-phenylmethoxyphenoxy)silane
CID 532661
(NZ)-N-[2-phenyl-1-(4-phenylphenyl)ethylidene]hydroxylamine
CID 6381176
(NZ)-N-[1-(4-fluorophenyl)-2-phenylethylidene]hydroxylamine
CID 22277781
lithium tert-butyl-[4-(1,2-diphenylethenyl)phenoxy]-dimethylsilane
CID 177390908
1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-phenylbutan-1-one
CID 70670904
4-N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-N,4-N-dimethyl-1-N-phenylbenzene-1,4-diamine
CID 19763310
[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl 3-phenylpropanoate
CID 102575732
[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl-triphenylphosphanium bromide
CID 10393091
[tert-butyl(dimethyl)silyl] 2-phenylacetate
CID 528591
ethyl 4-[tert-butyl(dimethyl)silyl]oxybenzoate
CID 11289003
2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-hydroxyacetic acid
CID 167729087

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-phenylethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-phenylethylidene]hydroxylamine (CID 59857614) is (NE)-N-[1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-phenylethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-phenylethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-phenylethylidene]hydroxylamine is CC(C)(C)[Si](C)(C)Oc1ccc(/C(Cc2ccccc2)=N/O)cc1.
What is the InChIKey of (NE)-N-[1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-phenylethylidene]hydroxylamine?
The InChIKey is KOMVUDHAVCHMPF-XUTLUUPISA-N. The full InChI is InChI=1S/C20H27NO2Si/c1-20(2,3)24(4,5)23-18-13-11-17(12-14-18)19(21-22)15-16-9-7-6-8-10-16/h6-14,22H,15H2,1-5H3/b21-19+.
What are the key properties of (NE)-N-[1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-phenylethylidene]hydroxylamine?
(NE)-N-[1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-phenylethylidene]hydroxylamine has a molecular weight of 341.53 g/mol, XLogP of 5.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-phenylethylidene]hydroxylamine is sourced from PubChem (CID 59857614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).