N-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methylidene]hydroxylamine

C14H22ClNO2Si — CID 87286998

IUPACN-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methylidene]hydroxylamine
SMILESCC(C)(C)[Si](C)(C)OCc1cc(C=NO)ccc1Cl
InChIInChI=1S/C14H22ClNO2Si/c1-14(2,3)19(4,5)18-10-12-8-11(9-16-17)6-7-13(12)15/h6-9,17H,10H2,1-5H3
InChIKeyABOADBJOYZAAIQ-UHFFFAOYSA-N
MW299.87 g/mol
LogP4.67
Rot. Bonds4

About N-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methylidene]hydroxylamine

N-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methylidene]hydroxylamine (PubChem CID 87286998) has the molecular formula C14H22ClNO2Si and a molecular weight of 299.87 g/mol. Its IUPAC name is N-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methylidene]hydroxylamine
PubChem CID87286998
Molecular FormulaC14H22ClNO2Si
Molecular Weight299.87 g/mol
Exact Mass299.11
IUPAC NameN-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methylidene]hydroxylamine
SMILESCC(C)(C)[Si](C)(C)OCc1cc(C=NO)ccc1Cl
InChIInChI=1S/C14H22ClNO2Si/c1-14(2,3)19(4,5)18-10-12-8-11(9-16-17)6-7-13(12)15/h6-9,17H,10H2,1-5H3
InChIKeyABOADBJOYZAAIQ-UHFFFAOYSA-N
XLogP4.67
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.87
LogP ≤ 54.67
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

methyl N-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methyl]carbamate
CID 67148148
tert-butyl-[(2,4-dichlorophenyl)methoxy]-dimethylsilane
CID 91737025
[2-chloro-5-[(E)-hydroxyiminomethyl]phenyl]methylcarbamic acid
CID 89404863
tert-butyl-[(4,6-dichloro-3-pyridinyl)methoxy]-dimethylsilane
CID 131749614
3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-chloroaniline
CID 68654630
(NE)-N-[[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]methylidene]hydroxylamine
CID 11380504
N-[[3-[tert-butyl(dimethyl)silyl]oxy-4-methoxyphenyl]methylidene]hydroxylamine
CID 72751377
(E)-1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-N-(trimethylsilylmethyl)methanimine
CID 14687071
3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(2-chloro-6-fluorophenoxy)benzaldehyde
CID 178141966
N-[[3-[(2-chlorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 20987989
(NE)-N-[[3-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 42233568
methyl 2-chloro-5-(hydroxyiminomethyl)benzoate
CID 118418732

Frequently Asked Questions

What is the IUPAC name of N-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methylidene]hydroxylamine?
The IUPAC name of N-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methylidene]hydroxylamine (CID 87286998) is N-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methylidene]hydroxylamine.
What is the SMILES notation for N-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methylidene]hydroxylamine?
The canonical SMILES for N-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methylidene]hydroxylamine is CC(C)(C)[Si](C)(C)OCc1cc(C=NO)ccc1Cl.
What is the InChIKey of N-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methylidene]hydroxylamine?
The InChIKey is ABOADBJOYZAAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO2Si/c1-14(2,3)19(4,5)18-10-12-8-11(9-16-17)6-7-13(12)15/h6-9,17H,10H2,1-5H3.
What are the key properties of N-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methylidene]hydroxylamine?
N-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methylidene]hydroxylamine has a molecular weight of 299.87 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methylidene]hydroxylamine is sourced from PubChem (CID 87286998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).