dicesium;dioxido-oxo-prop-2-enyl-λ5-phosphane

C3H5Cs2O3P — CID 87403767

IUPACdicesium;dioxido-oxo-prop-2-enyl-λ5-phosphane
SMILESC=CCP(=O)([O-])[O-].[Cs+].[Cs+]
InChIInChI=1S/C3H7O3P.2Cs/c1-2-3-7(4,5)6;;/h2H,1,3H2,(H2,4,5,6);;/q;2*+1/p-2
InChIKeyUTXZJOSYOVZDOR-UHFFFAOYSA-L
MW385.85 g/mol
LogP-6.91
Rot. Bonds2

About dicesium;dioxido-oxo-prop-2-enyl-λ5-phosphane

dicesium;dioxido-oxo-prop-2-enyl-λ5-phosphane (PubChem CID 87403767) has the molecular formula C3H5Cs2O3P and a molecular weight of 385.85 g/mol. Its IUPAC name is dicesium;dioxido-oxo-prop-2-enyl-λ5-phosphane.

Molecular Properties

Compound Namedicesium;dioxido-oxo-prop-2-enyl-λ5-phosphane
PubChem CID87403767
Molecular FormulaC3H5Cs2O3P
Molecular Weight385.85 g/mol
Exact Mass385.81
IUPAC Namedicesium;dioxido-oxo-prop-2-enyl-λ5-phosphane
SMILESC=CCP(=O)([O-])[O-].[Cs+].[Cs+]
InChIInChI=1S/C3H7O3P.2Cs/c1-2-3-7(4,5)6;;/h2H,1,3H2,(H2,4,5,6);;/q;2*+1/p-2
InChIKeyUTXZJOSYOVZDOR-UHFFFAOYSA-L
XLogP-6.91
TPSA63.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.85
LogP ≤ 5-6.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethoxy(prop-2-enyl)phosphinate
CID 71365133
bis(prop-2-enyl)phosphinic acid;hydrochloride
CID 88719612
3-dichlorophosphorylprop-1-ene;phosphoryl trichloride
CID 174369495
disodium;prop-2-enyl phosphate
CID 87157623
3-diethylphosphorylprop-1-ene
CID 13431646
acetylene;prop-2-enylphosphonic acid
CID 175361195
zinc prop-2-enyl phosphate
CID 87515855
ethenyl(prop-2-enoxy)phosphinate
CID 71349552
dihydrogen phosphate;triethyl(prop-2-enyl)azanium
CID 173387708
3-diethoxyphosphorylprop-1-ene
CID 573014
zinc [oxido(prop-2-enoxy)phosphoryl] prop-2-enyl phosphate
CID 88639643
azane;ethanol;prop-2-enylphosphonic acid
CID 174385438

Frequently Asked Questions

What is the IUPAC name of dicesium;dioxido-oxo-prop-2-enyl-λ5-phosphane?
The IUPAC name of dicesium;dioxido-oxo-prop-2-enyl-λ5-phosphane (CID 87403767) is dicesium;dioxido-oxo-prop-2-enyl-λ5-phosphane.
What is the SMILES notation for dicesium;dioxido-oxo-prop-2-enyl-λ5-phosphane?
The canonical SMILES for dicesium;dioxido-oxo-prop-2-enyl-λ5-phosphane is C=CCP(=O)([O-])[O-].[Cs+].[Cs+].
What is the InChIKey of dicesium;dioxido-oxo-prop-2-enyl-λ5-phosphane?
The InChIKey is UTXZJOSYOVZDOR-UHFFFAOYSA-L. The full InChI is InChI=1S/C3H7O3P.2Cs/c1-2-3-7(4,5)6;;/h2H,1,3H2,(H2,4,5,6);;/q;2*+1/p-2.
What are the key properties of dicesium;dioxido-oxo-prop-2-enyl-λ5-phosphane?
dicesium;dioxido-oxo-prop-2-enyl-λ5-phosphane has a molecular weight of 385.85 g/mol, XLogP of -6.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dicesium;dioxido-oxo-prop-2-enyl-λ5-phosphane is sourced from PubChem (CID 87403767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).