carbon monoxide;3-methylphenol;molybdenum;tetraethylazanium

C20H28MoNO6+ — CID 134902527

IUPACcarbon monoxide;3-methylphenol;molybdenum;tetraethylazanium
SMILESCC[N+](CC)(CC)CC.Cc1cccc(O)c1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Mo]
InChIInChI=1S/C8H20N.C7H8O.5CO.Mo/c1-5-9(6-2,7-3)8-4;1-6-3-2-4-7(8)5-6;5*1-2;/h5-8H2,1-4H3;2-5,8H,1H3;;;;;;/q+1;;;;;;;
InChIKeyLIBKLFBBNACZLA-UHFFFAOYSA-N
MW474.39 g/mol
LogP3.39
Rot. Bonds4

About carbon monoxide;3-methylphenol;molybdenum;tetraethylazanium

carbon monoxide;3-methylphenol;molybdenum;tetraethylazanium (PubChem CID 134902527) has the molecular formula C20H28MoNO6+ and a molecular weight of 474.39 g/mol. Its IUPAC name is carbon monoxide;3-methylphenol;molybdenum;tetraethylazanium.

Molecular Properties

Compound Namecarbon monoxide;3-methylphenol;molybdenum;tetraethylazanium
PubChem CID134902527
Molecular FormulaC20H28MoNO6+
Molecular Weight474.39 g/mol
Exact Mass476.10
IUPAC Namecarbon monoxide;3-methylphenol;molybdenum;tetraethylazanium
SMILESCC[N+](CC)(CC)CC.Cc1cccc(O)c1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Mo]
InChIInChI=1S/C8H20N.C7H8O.5CO.Mo/c1-5-9(6-2,7-3)8-4;1-6-3-2-4-7(8)5-6;5*1-2;/h5-8H2,1-4H3;2-5,8H,1H3;;;;;;/q+1;;;;;;;
InChIKeyLIBKLFBBNACZLA-UHFFFAOYSA-N
XLogP3.39
TPSA119.73 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.39
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

3-methylphenol
CID 67925627
sodium 3-methylphenol
CID 21278687
carbanide;3-methylphenol;yttrium
CID 161376652
2,2-dimethylpropane;ethane;3-methylphenol;propane
CID 143588830
3-methylphenol;4-methylphenol;propane
CID 157147188
3-methylphenol;pentan-3-one
CID 174814011
3-methylphenol;sulfuric acid
CID 70180616
3-methylphenol thiocyanate
CID 20976814
3-methylphenol;naphthalen-1-ol
CID 66623772
bis(4-methylaniline);3-methylphenol
CID 144604707
bis(cyclopenta-1,3-diene);3-methylphenol
CID 67864963
N,N-dioctyloctan-1-amine;3-methylphenol
CID 174801839

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;3-methylphenol;molybdenum;tetraethylazanium?
The IUPAC name of carbon monoxide;3-methylphenol;molybdenum;tetraethylazanium (CID 134902527) is carbon monoxide;3-methylphenol;molybdenum;tetraethylazanium.
What is the SMILES notation for carbon monoxide;3-methylphenol;molybdenum;tetraethylazanium?
The canonical SMILES for carbon monoxide;3-methylphenol;molybdenum;tetraethylazanium is CC[N+](CC)(CC)CC.Cc1cccc(O)c1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Mo].
What is the InChIKey of carbon monoxide;3-methylphenol;molybdenum;tetraethylazanium?
The InChIKey is LIBKLFBBNACZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N.C7H8O.5CO.Mo/c1-5-9(6-2,7-3)8-4;1-6-3-2-4-7(8)5-6;5*1-2;/h5-8H2,1-4H3;2-5,8H,1H3;;;;;;/q+1;;;;;;;.
What are the key properties of carbon monoxide;3-methylphenol;molybdenum;tetraethylazanium?
carbon monoxide;3-methylphenol;molybdenum;tetraethylazanium has a molecular weight of 474.39 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;3-methylphenol;molybdenum;tetraethylazanium is sourced from PubChem (CID 134902527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).