2-[(E)-2-aminooxyethoxyiminomethyl]-4,6-ditert-butylphenol

C17H28N2O3 — CID 135499797

IUPAC2-[(E)-2-aminooxyethoxyiminomethyl]-4,6-ditert-butylphenol
SMILESCC(C)(C)c1cc(/C=N/OCCON)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C17H28N2O3/c1-16(2,3)13-9-12(11-19-22-8-7-21-18)15(20)14(10-13)17(4,5)6/h9-11,20H,7-8,18H2,1-6H3/b19-11+
InChIKeyVXSOIORTTMGJME-YBFXNURJSA-N
MW308.42 g/mol
LogP3.23
Rot. Bonds5

About 2-[(E)-2-aminooxyethoxyiminomethyl]-4,6-ditert-butylphenol

2-[(E)-2-aminooxyethoxyiminomethyl]-4,6-ditert-butylphenol (PubChem CID 135499797) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is 2-[(E)-2-aminooxyethoxyiminomethyl]-4,6-ditert-butylphenol.

Molecular Properties

Compound Name2-[(E)-2-aminooxyethoxyiminomethyl]-4,6-ditert-butylphenol
PubChem CID135499797
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC Name2-[(E)-2-aminooxyethoxyiminomethyl]-4,6-ditert-butylphenol
SMILESCC(C)(C)c1cc(/C=N/OCCON)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C17H28N2O3/c1-16(2,3)13-9-12(11-19-22-8-7-21-18)15(20)14(10-13)17(4,5)6/h9-11,20H,7-8,18H2,1-6H3/b19-11+
InChIKeyVXSOIORTTMGJME-YBFXNURJSA-N
XLogP3.23
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_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 2-[(E)-2-aminooxyethoxyiminomethyl]-4,6-ditert-butylphenol?
The IUPAC name of 2-[(E)-2-aminooxyethoxyiminomethyl]-4,6-ditert-butylphenol (CID 135499797) is 2-[(E)-2-aminooxyethoxyiminomethyl]-4,6-ditert-butylphenol.
What is the SMILES notation for 2-[(E)-2-aminooxyethoxyiminomethyl]-4,6-ditert-butylphenol?
The canonical SMILES for 2-[(E)-2-aminooxyethoxyiminomethyl]-4,6-ditert-butylphenol is CC(C)(C)c1cc(/C=N/OCCON)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 2-[(E)-2-aminooxyethoxyiminomethyl]-4,6-ditert-butylphenol?
The InChIKey is VXSOIORTTMGJME-YBFXNURJSA-N. The full InChI is InChI=1S/C17H28N2O3/c1-16(2,3)13-9-12(11-19-22-8-7-21-18)15(20)14(10-13)17(4,5)6/h9-11,20H,7-8,18H2,1-6H3/b19-11+.
What are the key properties of 2-[(E)-2-aminooxyethoxyiminomethyl]-4,6-ditert-butylphenol?
2-[(E)-2-aminooxyethoxyiminomethyl]-4,6-ditert-butylphenol has a molecular weight of 308.42 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-aminooxyethoxyiminomethyl]-4,6-ditert-butylphenol is sourced from PubChem (CID 135499797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).