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

C14H23NO3Si — CID 72751377

IUPACN-[[3-[tert-butyl(dimethyl)silyl]oxy-4-methoxyphenyl]methylidene]hydroxylamine
SMILESCOc1ccc(C=NO)cc1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H23NO3Si/c1-14(2,3)19(5,6)18-13-9-11(10-15-16)7-8-12(13)17-4/h7-10,16H,1-6H3
InChIKeyOLCIOYIMIJGKLB-UHFFFAOYSA-N
MW281.43 g/mol
LogP3.89
Rot. Bonds4

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

N-[[3-[tert-butyl(dimethyl)silyl]oxy-4-methoxyphenyl]methylidene]hydroxylamine (PubChem CID 72751377) has the molecular formula C14H23NO3Si and a molecular weight of 281.43 g/mol. Its IUPAC name is N-[[3-[tert-butyl(dimethyl)silyl]oxy-4-methoxyphenyl]methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[[3-[tert-butyl(dimethyl)silyl]oxy-4-methoxyphenyl]methylidene]hydroxylamine
PubChem CID72751377
Molecular FormulaC14H23NO3Si
Molecular Weight281.43 g/mol
Exact Mass281.14
IUPAC NameN-[[3-[tert-butyl(dimethyl)silyl]oxy-4-methoxyphenyl]methylidene]hydroxylamine
SMILESCOc1ccc(C=NO)cc1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H23NO3Si/c1-14(2,3)19(5,6)18-13-9-11(10-15-16)7-8-12(13)17-4/h7-10,16H,1-6H3
InChIKeyOLCIOYIMIJGKLB-UHFFFAOYSA-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

(NE)-N-[[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]methylidene]hydroxylamine
CID 11380504
tert-butyl-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]-dimethylsilane
CID 5386557
(5-bromo-2-methoxyphenoxy)-tert-butyl-dimethylsilane
CID 10980049
(NZ)-N-[(3-ethoxy-4-methoxyphenyl)methylidene]hydroxylamine
CID 6199793
tert-butyl-(5-chloro-2-methoxyphenoxy)-dimethylsilane
CID 125116719
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methylidene]hydroxylamine
CID 76872352
N-[(3-fluoro-4-methoxyphenyl)methylidene]hydroxylamine
CID 74061800
5-[(E)-hydroxyiminomethyl]-2-methoxybenzoic acid
CID 126055980
3-[tert-butyl(dimethyl)silyl]oxy-4-methoxybenzoyl chloride
CID 10979521
tert-butyl-[5-[(Z)-2-(3,4-dimethoxy-5-nitrophenyl)ethenyl]-2-methoxyphenoxy]-dimethylsilane
CID 59904656
[4-(hydroxyiminomethyl)-2-methoxyphenyl] acetate
CID 4619738
2-[5-[(E)-hydroxyiminomethyl]-2-methoxyphenoxy]acetic acid
CID 87800721

Frequently Asked Questions

What is the IUPAC name of N-[[3-[tert-butyl(dimethyl)silyl]oxy-4-methoxyphenyl]methylidene]hydroxylamine?
The IUPAC name of N-[[3-[tert-butyl(dimethyl)silyl]oxy-4-methoxyphenyl]methylidene]hydroxylamine (CID 72751377) is N-[[3-[tert-butyl(dimethyl)silyl]oxy-4-methoxyphenyl]methylidene]hydroxylamine.
What is the SMILES notation for N-[[3-[tert-butyl(dimethyl)silyl]oxy-4-methoxyphenyl]methylidene]hydroxylamine?
The canonical SMILES for N-[[3-[tert-butyl(dimethyl)silyl]oxy-4-methoxyphenyl]methylidene]hydroxylamine is COc1ccc(C=NO)cc1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of N-[[3-[tert-butyl(dimethyl)silyl]oxy-4-methoxyphenyl]methylidene]hydroxylamine?
The InChIKey is OLCIOYIMIJGKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3Si/c1-14(2,3)19(5,6)18-13-9-11(10-15-16)7-8-12(13)17-4/h7-10,16H,1-6H3.
What are the key properties of N-[[3-[tert-butyl(dimethyl)silyl]oxy-4-methoxyphenyl]methylidene]hydroxylamine?
N-[[3-[tert-butyl(dimethyl)silyl]oxy-4-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 N-[[3-[tert-butyl(dimethyl)silyl]oxy-4-methoxyphenyl]methylidene]hydroxylamine is sourced from PubChem (CID 72751377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).