(Z)-tert-butyl-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-hydroxyazanium

C19H32NO2+ — CID 143106582

IUPAC(Z)-tert-butyl-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-hydroxyazanium
SMILESCC(C)(C)c1cc(/C=[N+](\O)C(C)(C)C)cc(C(C)(C)C)c1O
InChIInChI=1S/C19H31NO2/c1-17(2,3)14-10-13(12-20(22)19(7,8)9)11-15(16(14)21)18(4,5)6/h10-12,22H,1-9H3/p+1
InChIKeyHALPXPQRULTMTG-UHFFFAOYSA-O
MW306.47 g/mol
LogP4.61
Rot. Bonds1

About (Z)-tert-butyl-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-hydroxyazanium

(Z)-tert-butyl-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-hydroxyazanium (PubChem CID 143106582) has the molecular formula C19H32NO2+ and a molecular weight of 306.47 g/mol. Its IUPAC name is (Z)-tert-butyl-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-hydroxyazanium.

Molecular Properties

Compound Name(Z)-tert-butyl-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-hydroxyazanium
PubChem CID143106582
Molecular FormulaC19H32NO2+
Molecular Weight306.47 g/mol
Exact Mass306.24
IUPAC Name(Z)-tert-butyl-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-hydroxyazanium
SMILESCC(C)(C)c1cc(/C=[N+](\O)C(C)(C)C)cc(C(C)(C)C)c1O
InChIInChI=1S/C19H31NO2/c1-17(2,3)14-10-13(12-20(22)19(7,8)9)11-15(16(14)21)18(4,5)6/h10-12,22H,1-9H3/p+1
InChIKeyHALPXPQRULTMTG-UHFFFAOYSA-O
XLogP4.61
TPSA43.47 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.47
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-tert-butyl-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-hydroxyazanium?
The IUPAC name of (Z)-tert-butyl-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-hydroxyazanium (CID 143106582) is (Z)-tert-butyl-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-hydroxyazanium.
What is the SMILES notation for (Z)-tert-butyl-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-hydroxyazanium?
The canonical SMILES for (Z)-tert-butyl-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-hydroxyazanium is CC(C)(C)c1cc(/C=[N+](\O)C(C)(C)C)cc(C(C)(C)C)c1O.
What is the InChIKey of (Z)-tert-butyl-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-hydroxyazanium?
The InChIKey is HALPXPQRULTMTG-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H31NO2/c1-17(2,3)14-10-13(12-20(22)19(7,8)9)11-15(16(14)21)18(4,5)6/h10-12,22H,1-9H3/p+1.
What are the key properties of (Z)-tert-butyl-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-hydroxyazanium?
(Z)-tert-butyl-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-hydroxyazanium has a molecular weight of 306.47 g/mol, XLogP of 4.61, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-tert-butyl-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-hydroxyazanium is sourced from PubChem (CID 143106582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).