(NE)-N-[[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]methylidene]hydroxylamine

C14H23NO3Si — CID 11380504

IUPAC(NE)-N-[[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]methylidene]hydroxylamine
SMILESCOc1cc(/C=N/O)ccc1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H23NO3Si/c1-14(2,3)19(5,6)18-12-8-7-11(10-15-16)9-13(12)17-4/h7-10,16H,1-6H3/b15-10+
InChIKeyBJMCHHAOTFLGKA-XNTDXEJSSA-N
MW281.43 g/mol
LogP3.89
Rot. Bonds4

About (NE)-N-[[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]methylidene]hydroxylamine

(NE)-N-[[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]methylidene]hydroxylamine (PubChem CID 11380504) has the molecular formula C14H23NO3Si and a molecular weight of 281.43 g/mol. Its IUPAC name is (NE)-N-[[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]methylidene]hydroxylamine
PubChem CID11380504
Molecular FormulaC14H23NO3Si
Molecular Weight281.43 g/mol
Exact Mass281.14
IUPAC Name(NE)-N-[[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]methylidene]hydroxylamine
SMILESCOc1cc(/C=N/O)ccc1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H23NO3Si/c1-14(2,3)19(5,6)18-12-8-7-11(10-15-16)9-13(12)17-4/h7-10,16H,1-6H3/b15-10+
InChIKeyBJMCHHAOTFLGKA-XNTDXEJSSA-N
XLogP3.89
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.43
LogP ≤ 53.89
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': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[3-[tert-butyl(dimethyl)silyl]oxy-4-methoxyphenyl]methylidene]hydroxylamine
CID 72751377
[4-(hydroxyiminomethyl)-2-methoxyphenyl] acetate
CID 4619738
tert-butyl-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]-dimethylsilane
CID 5386557
(1E,6E)-1-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]-7-(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione
CID 71314377
N-[(E)-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]methylideneamino]-N-(2,4-dimethylphenyl)-2,2,2-trifluoroacetamide
CID 142735885
N-[(3-fluoro-4-methoxyphenyl)methylidene]hydroxylamine
CID 74061800
(NZ)-N-[(3-ethoxy-4-methoxyphenyl)methylidene]hydroxylamine
CID 6199793
5-[(E)-hydroxyiminomethyl]-2-methoxybenzoic acid
CID 126055980
N-[[4-[2-(4-tert-butylphenoxy)ethoxy]-3-methoxyphenyl]methylidene]hydroxylamine
CID 20985930
[(E,2S)-4-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]-1-chlorobut-3-en-2-yl] acetate
CID 71623565
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methylidene]hydroxylamine
CID 76872352
(NZ)-N-[[4-(2,2-difluoroethoxy)-3-methoxyphenyl]methylidene]hydroxylamine
CID 95732521

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]methylidene]hydroxylamine (CID 11380504) is (NE)-N-[[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]methylidene]hydroxylamine is COc1cc(/C=N/O)ccc1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (NE)-N-[[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]methylidene]hydroxylamine?
The InChIKey is BJMCHHAOTFLGKA-XNTDXEJSSA-N. The full InChI is InChI=1S/C14H23NO3Si/c1-14(2,3)19(5,6)18-12-8-7-11(10-15-16)9-13(12)17-4/h7-10,16H,1-6H3/b15-10+.
What are the key properties of (NE)-N-[[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]methylidene]hydroxylamine?
(NE)-N-[[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]methylidene]hydroxylamine has a molecular weight of 281.43 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]methylidene]hydroxylamine is sourced from PubChem (CID 11380504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).