carbon monoxide;[3-dimethylphosphanyl-2-(dimethylphosphanylmethyl)-2-methylpropyl]-dimethylphosphane;zirconium

C15H27O4P3Zr — CID 135046576

IUPACcarbon monoxide;[3-dimethylphosphanyl-2-(dimethylphosphanylmethyl)-2-methylpropyl]-dimethylphosphane;zirconium
SMILESCP(C)CC(C)(CP(C)C)CP(C)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Zr]
InChIInChI=1S/C11H27P3.4CO.Zr/c1-11(8-12(2)3,9-13(4)5)10-14(6)7;4*1-2;/h8-10H2,1-7H3;;;;;
InChIKeyGOWRYNLQOQJDGV-UHFFFAOYSA-N
MW455.52 g/mol
LogP4.06
Rot. Bonds6

About carbon monoxide;[3-dimethylphosphanyl-2-(dimethylphosphanylmethyl)-2-methylpropyl]-dimethylphosphane;zirconium

carbon monoxide;[3-dimethylphosphanyl-2-(dimethylphosphanylmethyl)-2-methylpropyl]-dimethylphosphane;zirconium (PubChem CID 135046576) has the molecular formula C15H27O4P3Zr and a molecular weight of 455.52 g/mol. Its IUPAC name is carbon monoxide;[3-dimethylphosphanyl-2-(dimethylphosphanylmethyl)-2-methylpropyl]-dimethylphosphane;zirconium.

Molecular Properties

Compound Namecarbon monoxide;[3-dimethylphosphanyl-2-(dimethylphosphanylmethyl)-2-methylpropyl]-dimethylphosphane;zirconium
PubChem CID135046576
Molecular FormulaC15H27O4P3Zr
Molecular Weight455.52 g/mol
Exact Mass454.02
IUPAC Namecarbon monoxide;[3-dimethylphosphanyl-2-(dimethylphosphanylmethyl)-2-methylpropyl]-dimethylphosphane;zirconium
SMILESCP(C)CC(C)(CP(C)C)CP(C)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Zr]
InChIInChI=1S/C11H27P3.4CO.Zr/c1-11(8-12(2)3,9-13(4)5)10-14(6)7;4*1-2;/h8-10H2,1-7H3;;;;;
InChIKeyGOWRYNLQOQJDGV-UHFFFAOYSA-N
XLogP4.06
TPSA79.60 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.52
LogP ≤ 54.06
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': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of carbon monoxide;[3-dimethylphosphanyl-2-(dimethylphosphanylmethyl)-2-methylpropyl]-dimethylphosphane;zirconium?
The IUPAC name of carbon monoxide;[3-dimethylphosphanyl-2-(dimethylphosphanylmethyl)-2-methylpropyl]-dimethylphosphane;zirconium (CID 135046576) is carbon monoxide;[3-dimethylphosphanyl-2-(dimethylphosphanylmethyl)-2-methylpropyl]-dimethylphosphane;zirconium.
What is the SMILES notation for carbon monoxide;[3-dimethylphosphanyl-2-(dimethylphosphanylmethyl)-2-methylpropyl]-dimethylphosphane;zirconium?
The canonical SMILES for carbon monoxide;[3-dimethylphosphanyl-2-(dimethylphosphanylmethyl)-2-methylpropyl]-dimethylphosphane;zirconium is CP(C)CC(C)(CP(C)C)CP(C)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Zr].
What is the InChIKey of carbon monoxide;[3-dimethylphosphanyl-2-(dimethylphosphanylmethyl)-2-methylpropyl]-dimethylphosphane;zirconium?
The InChIKey is GOWRYNLQOQJDGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H27P3.4CO.Zr/c1-11(8-12(2)3,9-13(4)5)10-14(6)7;4*1-2;/h8-10H2,1-7H3;;;;;.
What are the key properties of carbon monoxide;[3-dimethylphosphanyl-2-(dimethylphosphanylmethyl)-2-methylpropyl]-dimethylphosphane;zirconium?
carbon monoxide;[3-dimethylphosphanyl-2-(dimethylphosphanylmethyl)-2-methylpropyl]-dimethylphosphane;zirconium has a molecular weight of 455.52 g/mol, XLogP of 4.06, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;[3-dimethylphosphanyl-2-(dimethylphosphanylmethyl)-2-methylpropyl]-dimethylphosphane;zirconium is sourced from PubChem (CID 135046576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).