copper tert-butyl-dioxido-oxo-λ5-phosphane

C4H9CuO3P — CID 155673850

IUPACcopper tert-butyl-dioxido-oxo-λ5-phosphane
SMILESCC(C)(C)P(=O)([O-])[O-].[Cu+2]
InChIInChI=1S/C4H11O3P.Cu/c1-4(2,3)8(5,6)7;/h1-3H3,(H2,5,6,7);/q;+2/p-2
InChIKeyBFOABAXMIPODCR-UHFFFAOYSA-L
MW199.63 g/mol
LogP-0.30
Rot. Bonds

About copper tert-butyl-dioxido-oxo-λ5-phosphane

copper tert-butyl-dioxido-oxo-λ5-phosphane (PubChem CID 155673850) has the molecular formula C4H9CuO3P and a molecular weight of 199.63 g/mol. Its IUPAC name is copper tert-butyl-dioxido-oxo-λ5-phosphane.

Molecular Properties

Compound Namecopper tert-butyl-dioxido-oxo-λ5-phosphane
PubChem CID155673850
Molecular FormulaC4H9CuO3P
Molecular Weight199.63 g/mol
Exact Mass198.96
IUPAC Namecopper tert-butyl-dioxido-oxo-λ5-phosphane
SMILESCC(C)(C)P(=O)([O-])[O-].[Cu+2]
InChIInChI=1S/C4H11O3P.Cu/c1-4(2,3)8(5,6)7;/h1-3H3,(H2,5,6,7);/q;+2/p-2
InChIKeyBFOABAXMIPODCR-UHFFFAOYSA-L
XLogP-0.30
TPSA63.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.63
LogP ≤ 5-0.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

aluminum tris(tert-butyl(methyl)phosphinate)
CID 173016084
aluminum tris(ditert-butylphosphinate)
CID 175284123
tert-butyl-[[tert-butyl(oxido)phosphoryl]oxy-oxidophosphoryl]oxyphosphinate
CID 177074901
pentacopper;bis(oxygen(2-));diphosphate
CID 173096360
dipotassium;(1-hydroxy-1-phosphonatoethyl)phosphonic acid
CID 71435964
2-phosphonatopropan-2-yl-[2-(2-phosphonatopropan-2-ylazaniumyl)ethyl]azanium
CID 3455058
bis(ditert-butylalumanylium);methyl-dioxido-oxo-λ5-phosphane
CID 175312218
disodium;[dichloro(phosphonato)methyl]-dioxido-oxo-λ5-phosphane
CID 23619782
2-[tert-butyl(fluoro)phosphoryl]-2-methylpropane
CID 14144673
butane-2,2,3,3-tetrol;phosphoric acid
CID 172831212
diazanium;tert-butyl phosphate
CID 121268914
silver ditert-butyl phosphate
CID 18428988

Frequently Asked Questions

What is the IUPAC name of copper tert-butyl-dioxido-oxo-λ5-phosphane?
The IUPAC name of copper tert-butyl-dioxido-oxo-λ5-phosphane (CID 155673850) is copper tert-butyl-dioxido-oxo-λ5-phosphane.
What is the SMILES notation for copper tert-butyl-dioxido-oxo-λ5-phosphane?
The canonical SMILES for copper tert-butyl-dioxido-oxo-λ5-phosphane is CC(C)(C)P(=O)([O-])[O-].[Cu+2].
What is the InChIKey of copper tert-butyl-dioxido-oxo-λ5-phosphane?
The InChIKey is BFOABAXMIPODCR-UHFFFAOYSA-L. The full InChI is InChI=1S/C4H11O3P.Cu/c1-4(2,3)8(5,6)7;/h1-3H3,(H2,5,6,7);/q;+2/p-2.
What are the key properties of copper tert-butyl-dioxido-oxo-λ5-phosphane?
copper tert-butyl-dioxido-oxo-λ5-phosphane has a molecular weight of 199.63 g/mol, XLogP of -0.30, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for copper tert-butyl-dioxido-oxo-λ5-phosphane is sourced from PubChem (CID 155673850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).