trisodium;dioxido(oxo)silane;hydroxy(oxo)alumane;prop-2-enoate

C3H4AlNa3O7Si — CID 173186622

IUPACtrisodium;dioxido(oxo)silane;hydroxy(oxo)alumane;prop-2-enoate
SMILESC=CC(=O)[O-].O=[Al]O.O=[Si]([O-])[O-].[Na+].[Na+].[Na+]
InChIInChI=1S/C3H4O2.Al.3Na.O3Si.H2O.O/c1-2-3(4)5;;;;;1-4(2)3;;/h2H,1H2,(H,4,5);;;;;;1H2;/q;4*+1;-2;;/p-2
InChIKeyRJPVTTUFJGDIFV-UHFFFAOYSA-L
MW276.10 g/mol
LogP-14.00
Rot. Bonds1

About trisodium;dioxido(oxo)silane;hydroxy(oxo)alumane;prop-2-enoate

trisodium;dioxido(oxo)silane;hydroxy(oxo)alumane;prop-2-enoate (PubChem CID 173186622) has the molecular formula C3H4AlNa3O7Si and a molecular weight of 276.10 g/mol. Its IUPAC name is trisodium;dioxido(oxo)silane;hydroxy(oxo)alumane;prop-2-enoate.

Molecular Properties

Compound Nametrisodium;dioxido(oxo)silane;hydroxy(oxo)alumane;prop-2-enoate
PubChem CID173186622
Molecular FormulaC3H4AlNa3O7Si
Molecular Weight276.10 g/mol
Exact Mass275.92
IUPAC Nametrisodium;dioxido(oxo)silane;hydroxy(oxo)alumane;prop-2-enoate
SMILESC=CC(=O)[O-].O=[Al]O.O=[Si]([O-])[O-].[Na+].[Na+].[Na+]
InChIInChI=1S/C3H4O2.Al.3Na.O3Si.H2O.O/c1-2-3(4)5;;;;;1-4(2)3;;/h2H,1H2,(H,4,5);;;;;;1H2;/q;4*+1;-2;;/p-2
InChIKeyRJPVTTUFJGDIFV-UHFFFAOYSA-L
XLogP-14.00
TPSA140.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.10
LogP ≤ 5-14.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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lithium;prop-2-enoate;prop-2-enoic acid
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dialuminum;dicalcium;disodium;tris(dioxido(oxo)silane);tricarbonate
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Frequently Asked Questions

What is the IUPAC name of trisodium;dioxido(oxo)silane;hydroxy(oxo)alumane;prop-2-enoate?
The IUPAC name of trisodium;dioxido(oxo)silane;hydroxy(oxo)alumane;prop-2-enoate (CID 173186622) is trisodium;dioxido(oxo)silane;hydroxy(oxo)alumane;prop-2-enoate.
What is the SMILES notation for trisodium;dioxido(oxo)silane;hydroxy(oxo)alumane;prop-2-enoate?
The canonical SMILES for trisodium;dioxido(oxo)silane;hydroxy(oxo)alumane;prop-2-enoate is C=CC(=O)[O-].O=[Al]O.O=[Si]([O-])[O-].[Na+].[Na+].[Na+].
What is the InChIKey of trisodium;dioxido(oxo)silane;hydroxy(oxo)alumane;prop-2-enoate?
The InChIKey is RJPVTTUFJGDIFV-UHFFFAOYSA-L. The full InChI is InChI=1S/C3H4O2.Al.3Na.O3Si.H2O.O/c1-2-3(4)5;;;;;1-4(2)3;;/h2H,1H2,(H,4,5);;;;;;1H2;/q;4*+1;-2;;/p-2.
What are the key properties of trisodium;dioxido(oxo)silane;hydroxy(oxo)alumane;prop-2-enoate?
trisodium;dioxido(oxo)silane;hydroxy(oxo)alumane;prop-2-enoate has a molecular weight of 276.10 g/mol, XLogP of -14.00, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trisodium;dioxido(oxo)silane;hydroxy(oxo)alumane;prop-2-enoate is sourced from PubChem (CID 173186622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).