potassium 2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]-2-methylpropanoate

C19H28KNO3 — CID 156678583

IUPACpotassium 2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]-2-methylpropanoate
SMILESCC(C)(/N=C/c1cc(C(C)(C)C)cc(C(C)(C)C)c1O)C(=O)[O-].[K+]
InChIInChI=1S/C19H29NO3.K/c1-17(2,3)13-9-12(11-20-19(7,8)16(22)23)15(21)14(10-13)18(4,5)6;/h9-11,21H,1-8H3,(H,22,23);/q;+1/p-1/b20-11+;
InChIKeyBNHPMJUTIZNFMS-DOELHFPHSA-M
MW357.54 g/mol
LogP-0.06
Rot. Bonds3

About potassium 2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]-2-methylpropanoate

potassium 2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]-2-methylpropanoate (PubChem CID 156678583) has the molecular formula C19H28KNO3 and a molecular weight of 357.54 g/mol. Its IUPAC name is potassium 2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]-2-methylpropanoate.

Molecular Properties

Compound Namepotassium 2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]-2-methylpropanoate
PubChem CID156678583
Molecular FormulaC19H28KNO3
Molecular Weight357.54 g/mol
Exact Mass357.17
IUPAC Namepotassium 2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]-2-methylpropanoate
SMILESCC(C)(/N=C/c1cc(C(C)(C)C)cc(C(C)(C)C)c1O)C(=O)[O-].[K+]
InChIInChI=1S/C19H29NO3.K/c1-17(2,3)13-9-12(11-20-19(7,8)16(22)23)15(21)14(10-13)18(4,5)6;/h9-11,21H,1-8H3,(H,22,23);/q;+1/p-1/b20-11+;
InChIKeyBNHPMJUTIZNFMS-DOELHFPHSA-M
XLogP-0.06
TPSA72.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.54
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

chlororuthenium(1+);2,4-ditert-butyl-6-[[3-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]-2,3-dimethylbutan-2-yl]iminomethyl]phenol;nitroxyl anion
CID 136631894
[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]aluminum(2+)
CID 173083776
[(E)-(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]urea
CID 135824495
CID 173215314
CID 173215314
chromium;2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol;ethane
CID 155737356
cobalt(2+);2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclopentyl]iminomethyl]phenol;diacetate
CID 159447918
cobalt(2+);2,4-ditert-butyl-6-[[(1S,2S)-2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;diacetate
CID 173167408
2,4-ditert-butyl-6-[(E)-2-[(E)-(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]oxyethoxyiminomethyl]phenol
CID 135440193
2,4-ditert-butyl-6-[[(2R)-1-hydroxy-2-phenylpropan-2-yl]iminomethyl]phenol
CID 136693869
CID 173199978
CID 173199978
(2R)-2,3-bis[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]propanoic acid
CID 139161245
ethyl N-[(Z)-(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]carbamate
CID 136749406

Frequently Asked Questions

What is the IUPAC name of potassium 2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]-2-methylpropanoate?
The IUPAC name of potassium 2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]-2-methylpropanoate (CID 156678583) is potassium 2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]-2-methylpropanoate.
What is the SMILES notation for potassium 2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]-2-methylpropanoate?
The canonical SMILES for potassium 2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]-2-methylpropanoate is CC(C)(/N=C/c1cc(C(C)(C)C)cc(C(C)(C)C)c1O)C(=O)[O-].[K+].
What is the InChIKey of potassium 2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]-2-methylpropanoate?
The InChIKey is BNHPMJUTIZNFMS-DOELHFPHSA-M. The full InChI is InChI=1S/C19H29NO3.K/c1-17(2,3)13-9-12(11-20-19(7,8)16(22)23)15(21)14(10-13)18(4,5)6;/h9-11,21H,1-8H3,(H,22,23);/q;+1/p-1/b20-11+;.
What are the key properties of potassium 2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]-2-methylpropanoate?
potassium 2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]-2-methylpropanoate has a molecular weight of 357.54 g/mol, XLogP of -0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]-2-methylpropanoate is sourced from PubChem (CID 156678583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).