tetralithium;ethenyl-dioxido-oxo-λ5-phosphane;2-methylprop-2-enoate;prop-2-enoate

C9H11Li4O7P — CID 142698046

IUPACtetralithium;ethenyl-dioxido-oxo-λ5-phosphane;2-methylprop-2-enoate;prop-2-enoate
SMILESC=C(C)C(=O)[O-].C=CC(=O)[O-].C=CP(=O)([O-])[O-].[Li+].[Li+].[Li+].[Li+]
InChIInChI=1S/C4H6O2.C3H4O2.C2H5O3P.4Li/c1-3(2)4(5)6;1-2-3(4)5;1-2-6(3,4)5;;;;/h1H2,2H3,(H,5,6);2H,1H2,(H,4,5);2H,1H2,(H2,3,4,5);;;;/q;;;4*+1/p-4
InChIKeyBSUDEFJAYXIOEF-UHFFFAOYSA-J
MW289.92 g/mol
LogP-14.71
Rot. Bonds3

About tetralithium;ethenyl-dioxido-oxo-λ5-phosphane;2-methylprop-2-enoate;prop-2-enoate

tetralithium;ethenyl-dioxido-oxo-λ5-phosphane;2-methylprop-2-enoate;prop-2-enoate (PubChem CID 142698046) has the molecular formula C9H11Li4O7P and a molecular weight of 289.92 g/mol. Its IUPAC name is tetralithium;ethenyl-dioxido-oxo-λ5-phosphane;2-methylprop-2-enoate;prop-2-enoate.

Molecular Properties

Compound Nametetralithium;ethenyl-dioxido-oxo-λ5-phosphane;2-methylprop-2-enoate;prop-2-enoate
PubChem CID142698046
Molecular FormulaC9H11Li4O7P
Molecular Weight289.92 g/mol
Exact Mass290.09
IUPAC Nametetralithium;ethenyl-dioxido-oxo-λ5-phosphane;2-methylprop-2-enoate;prop-2-enoate
SMILESC=C(C)C(=O)[O-].C=CC(=O)[O-].C=CP(=O)([O-])[O-].[Li+].[Li+].[Li+].[Li+]
InChIInChI=1S/C4H6O2.C3H4O2.C2H5O3P.4Li/c1-3(2)4(5)6;1-2-3(4)5;1-2-6(3,4)5;;;;/h1H2,2H3,(H,5,6);2H,1H2,(H,4,5);2H,1H2,(H2,3,4,5);;;;/q;;;4*+1/p-4
InChIKeyBSUDEFJAYXIOEF-UHFFFAOYSA-J
XLogP-14.71
TPSA143.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.92
LogP ≤ 5-14.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tetralithium;ethenyl-dioxido-oxo-λ5-phosphane;2-methylprop-2-enoate;prop-2-enoate?
The IUPAC name of tetralithium;ethenyl-dioxido-oxo-λ5-phosphane;2-methylprop-2-enoate;prop-2-enoate (CID 142698046) is tetralithium;ethenyl-dioxido-oxo-λ5-phosphane;2-methylprop-2-enoate;prop-2-enoate.
What is the SMILES notation for tetralithium;ethenyl-dioxido-oxo-λ5-phosphane;2-methylprop-2-enoate;prop-2-enoate?
The canonical SMILES for tetralithium;ethenyl-dioxido-oxo-λ5-phosphane;2-methylprop-2-enoate;prop-2-enoate is C=C(C)C(=O)[O-].C=CC(=O)[O-].C=CP(=O)([O-])[O-].[Li+].[Li+].[Li+].[Li+].
What is the InChIKey of tetralithium;ethenyl-dioxido-oxo-λ5-phosphane;2-methylprop-2-enoate;prop-2-enoate?
The InChIKey is BSUDEFJAYXIOEF-UHFFFAOYSA-J. The full InChI is InChI=1S/C4H6O2.C3H4O2.C2H5O3P.4Li/c1-3(2)4(5)6;1-2-3(4)5;1-2-6(3,4)5;;;;/h1H2,2H3,(H,5,6);2H,1H2,(H,4,5);2H,1H2,(H2,3,4,5);;;;/q;;;4*+1/p-4.
What are the key properties of tetralithium;ethenyl-dioxido-oxo-λ5-phosphane;2-methylprop-2-enoate;prop-2-enoate?
tetralithium;ethenyl-dioxido-oxo-λ5-phosphane;2-methylprop-2-enoate;prop-2-enoate has a molecular weight of 289.92 g/mol, XLogP of -14.71, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tetralithium;ethenyl-dioxido-oxo-λ5-phosphane;2-methylprop-2-enoate;prop-2-enoate is sourced from PubChem (CID 142698046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).