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

C17H28ClMoNO5 — CID 23633948

IUPACcarbon monoxide;molybdenum;tetra(propan-2-yl)azanium;chloride
SMILESCC(C)[N+](C(C)C)(C(C)C)C(C)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cl-].[Mo]
InChIInChI=1S/C12H28N.5CO.ClH.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
InChIKeyVCHHQWSKCXUMPW-UHFFFAOYSA-M
MW457.81 g/mol
LogP0.25
Rot. Bonds4

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

carbon monoxide;molybdenum;tetra(propan-2-yl)azanium;chloride (PubChem CID 23633948) has the molecular formula C17H28ClMoNO5 and a molecular weight of 457.81 g/mol. Its IUPAC name is carbon monoxide;molybdenum;tetra(propan-2-yl)azanium;chloride.

Molecular Properties

Compound Namecarbon monoxide;molybdenum;tetra(propan-2-yl)azanium;chloride
PubChem CID23633948
Molecular FormulaC17H28ClMoNO5
Molecular Weight457.81 g/mol
Exact Mass459.07
IUPAC Namecarbon monoxide;molybdenum;tetra(propan-2-yl)azanium;chloride
SMILESCC(C)[N+](C(C)C)(C(C)C)C(C)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cl-].[Mo]
InChIInChI=1S/C12H28N.5CO.ClH.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
InChIKeyVCHHQWSKCXUMPW-UHFFFAOYSA-M
XLogP0.25
TPSA99.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.81
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': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

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CID 19093158
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CID 173183868
CID 135047654
CID 135047654
pentacalcium;methanolate;dichloride
CID 173394213
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CID 20976886
carbon monoxide;bis(platinum(2+));tetrachloride
CID 170850352
carbon monoxide;osmium;bis(tri(propan-2-yl)phosphane)
CID 11444122
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Frequently Asked Questions

What is the IUPAC name of carbon monoxide;molybdenum;tetra(propan-2-yl)azanium;chloride?
The IUPAC name of carbon monoxide;molybdenum;tetra(propan-2-yl)azanium;chloride (CID 23633948) is carbon monoxide;molybdenum;tetra(propan-2-yl)azanium;chloride.
What is the SMILES notation for carbon monoxide;molybdenum;tetra(propan-2-yl)azanium;chloride?
The canonical SMILES for carbon monoxide;molybdenum;tetra(propan-2-yl)azanium;chloride is CC(C)[N+](C(C)C)(C(C)C)C(C)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cl-].[Mo].
What is the InChIKey of carbon monoxide;molybdenum;tetra(propan-2-yl)azanium;chloride?
The InChIKey is VCHHQWSKCXUMPW-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H28N.5CO.ClH.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;chloride?
carbon monoxide;molybdenum;tetra(propan-2-yl)azanium;chloride has a molecular weight of 457.81 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;chloride is sourced from PubChem (CID 23633948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).