N-(2,2-dimethylpropanoyl)-2,2-dimethylpropanimidic acid;bis((Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);manganese

C32H59MnNO6 — CID 162748847

IUPACN-(2,2-dimethylpropanoyl)-2,2-dimethylpropanimidic acid;bis((Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);manganese
SMILESCC(C)(C)C(=O)/C=C(\O)C(C)(C)C.CC(C)(C)C(=O)/C=C(\O)C(C)(C)C.CC(C)(C)C(=O)/N=C(/O)C(C)(C)C.[Mn]
InChIInChI=1S/2C11H20O2.C10H19NO2.Mn/c2*1-10(2,3)8(12)7-9(13)11(4,5)6;1-9(2,3)7(12)11-8(13)10(4,5)6;/h2*7,12H,1-6H3;1-6H3,(H,11,12,13);/b2*8-7-;;
InChIKeyNNUDIURPGJNVHS-ZJCTYWPYSA-N
MW608.76 g/mol
LogP8.74
Rot. Bonds2

About N-(2,2-dimethylpropanoyl)-2,2-dimethylpropanimidic acid;bis((Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);manganese

N-(2,2-dimethylpropanoyl)-2,2-dimethylpropanimidic acid;bis((Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);manganese (PubChem CID 162748847) has the molecular formula C32H59MnNO6 and a molecular weight of 608.76 g/mol. Its IUPAC name is N-(2,2-dimethylpropanoyl)-2,2-dimethylpropanimidic acid;bis((Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);manganese.

Molecular Properties

Compound NameN-(2,2-dimethylpropanoyl)-2,2-dimethylpropanimidic acid;bis((Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);manganese
PubChem CID162748847
Molecular FormulaC32H59MnNO6
Molecular Weight608.76 g/mol
Exact Mass608.37
IUPAC NameN-(2,2-dimethylpropanoyl)-2,2-dimethylpropanimidic acid;bis((Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);manganese
SMILESCC(C)(C)C(=O)/C=C(\O)C(C)(C)C.CC(C)(C)C(=O)/C=C(\O)C(C)(C)C.CC(C)(C)C(=O)/N=C(/O)C(C)(C)C.[Mn]
InChIInChI=1S/2C11H20O2.C10H19NO2.Mn/c2*1-10(2,3)8(12)7-9(13)11(4,5)6;1-9(2,3)7(12)11-8(13)10(4,5)6;/h2*7,12H,1-6H3;1-6H3,(H,11,12,13);/b2*8-7-;;
InChIKeyNNUDIURPGJNVHS-ZJCTYWPYSA-N
XLogP8.74
TPSA124.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.76
LogP ≤ 58.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropanoyl)-2,2-dimethylpropanimidic acid;bis((Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);manganese?
The IUPAC name of N-(2,2-dimethylpropanoyl)-2,2-dimethylpropanimidic acid;bis((Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);manganese (CID 162748847) is N-(2,2-dimethylpropanoyl)-2,2-dimethylpropanimidic acid;bis((Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);manganese.
What is the SMILES notation for N-(2,2-dimethylpropanoyl)-2,2-dimethylpropanimidic acid;bis((Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);manganese?
The canonical SMILES for N-(2,2-dimethylpropanoyl)-2,2-dimethylpropanimidic acid;bis((Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);manganese is CC(C)(C)C(=O)/C=C(\O)C(C)(C)C.CC(C)(C)C(=O)/C=C(\O)C(C)(C)C.CC(C)(C)C(=O)/N=C(/O)C(C)(C)C.[Mn].
What is the InChIKey of N-(2,2-dimethylpropanoyl)-2,2-dimethylpropanimidic acid;bis((Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);manganese?
The InChIKey is NNUDIURPGJNVHS-ZJCTYWPYSA-N. The full InChI is InChI=1S/2C11H20O2.C10H19NO2.Mn/c2*1-10(2,3)8(12)7-9(13)11(4,5)6;1-9(2,3)7(12)11-8(13)10(4,5)6;/h2*7,12H,1-6H3;1-6H3,(H,11,12,13);/b2*8-7-;;.
What are the key properties of N-(2,2-dimethylpropanoyl)-2,2-dimethylpropanimidic acid;bis((Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);manganese?
N-(2,2-dimethylpropanoyl)-2,2-dimethylpropanimidic acid;bis((Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);manganese has a molecular weight of 608.76 g/mol, XLogP of 8.74, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropanoyl)-2,2-dimethylpropanimidic acid;bis((Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);manganese is sourced from PubChem (CID 162748847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).