sodium;methanol;silicon(4+);pentaacetate

C11H27NaO11Si — CID 160734608

IUPACsodium;methanol;silicon(4+);pentaacetate
SMILESCC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CO.[Na+].[SiH8+4]
InChIInChI=1S/5C2H4O2.CH4O.Na.H8Si/c5*1-2(3)4;1-2;;/h5*1H3,(H,3,4);2H,1H3;;1H8/q;;;;;;+1;+4/p-5
InChIKeyJGYIIVVXYDXZFK-UHFFFAOYSA-I
MW386.40 g/mol
LogP-12.13
Rot. Bonds

About sodium;methanol;silicon(4+);pentaacetate

sodium;methanol;silicon(4+);pentaacetate (PubChem CID 160734608) has the molecular formula C11H27NaO11Si and a molecular weight of 386.40 g/mol. Its IUPAC name is sodium;methanol;silicon(4+);pentaacetate.

Molecular Properties

Compound Namesodium;methanol;silicon(4+);pentaacetate
PubChem CID160734608
Molecular FormulaC11H27NaO11Si
Molecular Weight386.40 g/mol
Exact Mass386.12
IUPAC Namesodium;methanol;silicon(4+);pentaacetate
SMILESCC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CO.[Na+].[SiH8+4]
InChIInChI=1S/5C2H4O2.CH4O.Na.H8Si/c5*1-2(3)4;1-2;;/h5*1H3,(H,3,4);2H,1H3;;1H8/q;;;;;;+1;+4/p-5
InChIKeyJGYIIVVXYDXZFK-UHFFFAOYSA-I
XLogP-12.13
TPSA220.88 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.40
LogP ≤ 5-12.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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Related Compounds

nonasodium;nonaacetate
CID 173443222
sodium;hydron;triacetate
CID 173121634
sodium;acetate;trihydrofluoride
CID 172761892
sodium;acetate;trihydrate
CID 23665404
potassium;sodium;diacetate
CID 21470705
trisodium;acetate;carbonate
CID 169079974
potassium;methanol;acetate
CID 87290228
sodium;alumane;acetate
CID 173418045
disodium;sulfanide;acetate
CID 173135140
tetrasodium;tetraacetate;hydrate
CID 141360802
pentasodium;ethene;pentaacetate
CID 172708449
disodium;acetic acid;diacetate
CID 173429672

Frequently Asked Questions

What is the IUPAC name of sodium;methanol;silicon(4+);pentaacetate?
The IUPAC name of sodium;methanol;silicon(4+);pentaacetate (CID 160734608) is sodium;methanol;silicon(4+);pentaacetate.
What is the SMILES notation for sodium;methanol;silicon(4+);pentaacetate?
The canonical SMILES for sodium;methanol;silicon(4+);pentaacetate is CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CO.[Na+].[SiH8+4].
What is the InChIKey of sodium;methanol;silicon(4+);pentaacetate?
The InChIKey is JGYIIVVXYDXZFK-UHFFFAOYSA-I. The full InChI is InChI=1S/5C2H4O2.CH4O.Na.H8Si/c5*1-2(3)4;1-2;;/h5*1H3,(H,3,4);2H,1H3;;1H8/q;;;;;;+1;+4/p-5.
What are the key properties of sodium;methanol;silicon(4+);pentaacetate?
sodium;methanol;silicon(4+);pentaacetate has a molecular weight of 386.40 g/mol, XLogP of -12.13, 0 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;methanol;silicon(4+);pentaacetate is sourced from PubChem (CID 160734608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).