carbon monoxide;molybdenum;tetra(propan-2-yl)azanium;iodide

C17H28IMoNO5 — CID 23633949

IUPACcarbon monoxide;molybdenum;tetra(propan-2-yl)azanium;iodide
SMILESCC(C)[N+](C(C)C)(C(C)C)C(C)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[I-].[Mo]
InChIInChI=1S/C12H28N.5CO.HI.Mo/c1-9(2)13(10(3)4,11(5)6)12(7)8;5*1-2;;/h9-12H,1-8H3;;;;;;1H;/q+1;;;;;;;/p-1
InChIKeyWWYARMWSMPKLBD-UHFFFAOYSA-M
MW549.26 g/mol
LogP0.25
Rot. Bonds4

About carbon monoxide;molybdenum;tetra(propan-2-yl)azanium;iodide

carbon monoxide;molybdenum;tetra(propan-2-yl)azanium;iodide (PubChem CID 23633949) has the molecular formula C17H28IMoNO5 and a molecular weight of 549.26 g/mol. Its IUPAC name is carbon monoxide;molybdenum;tetra(propan-2-yl)azanium;iodide.

Molecular Properties

Compound Namecarbon monoxide;molybdenum;tetra(propan-2-yl)azanium;iodide
PubChem CID23633949
Molecular FormulaC17H28IMoNO5
Molecular Weight549.26 g/mol
Exact Mass551.01
IUPAC Namecarbon monoxide;molybdenum;tetra(propan-2-yl)azanium;iodide
SMILESCC(C)[N+](C(C)C)(C(C)C)C(C)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[I-].[Mo]
InChIInChI=1S/C12H28N.5CO.HI.Mo/c1-9(2)13(10(3)4,11(5)6)12(7)8;5*1-2;;/h9-12H,1-8H3;;;;;;1H;/q+1;;;;;;;/p-1
InChIKeyWWYARMWSMPKLBD-UHFFFAOYSA-M
XLogP0.25
TPSA99.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500549.26
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

carbon monoxide;molybdenum;tetra(propan-2-yl)azanium;chloride
CID 23633948
tetra(propan-2-yl)azanium fluoride
CID 18764598
tetramethylazanium;tetra(propan-2-yl)azanium;dihydroxide
CID 159779261
2-methylpropane;stibane
CID 173183868
CID 135047654
CID 135047654
2-methylpropane;sulfane
CID 20976886
carbon monoxide;osmium;bis(tri(propan-2-yl)phosphane)
CID 11444122
carbon monoxide;(1-methoxy-2-methylpropylidene)tungsten
CID 135075924
tetrakis(3-hydroxybutan-2-yl)azanium chloride
CID 19093158
di(butan-2-yl)alumanylium iodide
CID 18688218
mercury(1+);2-methylpropane;iodide
CID 171374754
carbon monoxide;N-ethyl-N-phosphanylethanamine;molybdenum
CID 134897448

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;molybdenum;tetra(propan-2-yl)azanium;iodide?
The IUPAC name of carbon monoxide;molybdenum;tetra(propan-2-yl)azanium;iodide (CID 23633949) is carbon monoxide;molybdenum;tetra(propan-2-yl)azanium;iodide.
What is the SMILES notation for carbon monoxide;molybdenum;tetra(propan-2-yl)azanium;iodide?
The canonical SMILES for carbon monoxide;molybdenum;tetra(propan-2-yl)azanium;iodide is CC(C)[N+](C(C)C)(C(C)C)C(C)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[I-].[Mo].
What is the InChIKey of carbon monoxide;molybdenum;tetra(propan-2-yl)azanium;iodide?
The InChIKey is WWYARMWSMPKLBD-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H28N.5CO.HI.Mo/c1-9(2)13(10(3)4,11(5)6)12(7)8;5*1-2;;/h9-12H,1-8H3;;;;;;1H;/q+1;;;;;;;/p-1.
What are the key properties of carbon monoxide;molybdenum;tetra(propan-2-yl)azanium;iodide?
carbon monoxide;molybdenum;tetra(propan-2-yl)azanium;iodide has a molecular weight of 549.26 g/mol, XLogP of 0.25, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;molybdenum;tetra(propan-2-yl)azanium;iodide is sourced from PubChem (CID 23633949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).