bismuth tris(2-(1-methoxyethoxy)ethanolate)

C15H33BiO9 — CID 173331005

IUPACbismuth tris(2-(1-methoxyethoxy)ethanolate)
SMILESCOC(C)OCC[O-].COC(C)OCC[O-].COC(C)OCC[O-].[Bi+3]
InChIInChI=1S/3C5H11O3.Bi/c3*1-5(7-2)8-4-3-6;/h3*5H,3-4H2,1-2H3;/q3*-1;+3
InChIKeyMNCLNDUFEHGQTB-UHFFFAOYSA-N
MW566.40 g/mol
LogP-2.31
Rot. Bonds12

About bismuth tris(2-(1-methoxyethoxy)ethanolate)

bismuth tris(2-(1-methoxyethoxy)ethanolate) (PubChem CID 173331005) has the molecular formula C15H33BiO9 and a molecular weight of 566.40 g/mol. Its IUPAC name is bismuth tris(2-(1-methoxyethoxy)ethanolate).

Molecular Properties

Compound Namebismuth tris(2-(1-methoxyethoxy)ethanolate)
PubChem CID173331005
Molecular FormulaC15H33BiO9
Molecular Weight566.40 g/mol
Exact Mass566.19
IUPAC Namebismuth tris(2-(1-methoxyethoxy)ethanolate)
SMILESCOC(C)OCC[O-].COC(C)OCC[O-].COC(C)OCC[O-].[Bi+3]
InChIInChI=1S/3C5H11O3.Bi/c3*1-5(7-2)8-4-3-6;/h3*5H,3-4H2,1-2H3;/q3*-1;+3
InChIKeyMNCLNDUFEHGQTB-UHFFFAOYSA-N
XLogP-2.31
TPSA124.56 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500566.40
LogP ≤ 5-2.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

aluminum tris(2-(1-methoxyethoxy)ethanolate)
CID 173188864
1,4-bis(1-methoxyethoxy)butane
CID 20578725
1,1-dimethoxyethane;1-ethoxy-1-methoxyethane
CID 175467857
1-methoxyethoxymethanol
CID 19047944
3-ethyl-1-(1-methoxyethoxy)hexane
CID 145144290
1-[1-(1-methoxyethoxy)ethoxy]butane
CID 22025807
12-(1-methoxyethoxy)dodecyl formate
CID 87852250
CID 171374592
CID 171374592
1,1-dimethoxyethane chloride
CID 22648542
1,1-dimethoxyethane;hafnium
CID 159457910
1,1,1-trifluoro-2-(1-methoxyethoxy)ethane
CID 87508044
2-(1-methoxyethoxymethylsilyl)ethanamine
CID 174967226

Frequently Asked Questions

What is the IUPAC name of bismuth tris(2-(1-methoxyethoxy)ethanolate)?
The IUPAC name of bismuth tris(2-(1-methoxyethoxy)ethanolate) (CID 173331005) is bismuth tris(2-(1-methoxyethoxy)ethanolate).
What is the SMILES notation for bismuth tris(2-(1-methoxyethoxy)ethanolate)?
The canonical SMILES for bismuth tris(2-(1-methoxyethoxy)ethanolate) is COC(C)OCC[O-].COC(C)OCC[O-].COC(C)OCC[O-].[Bi+3].
What is the InChIKey of bismuth tris(2-(1-methoxyethoxy)ethanolate)?
The InChIKey is MNCLNDUFEHGQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/3C5H11O3.Bi/c3*1-5(7-2)8-4-3-6;/h3*5H,3-4H2,1-2H3;/q3*-1;+3.
What are the key properties of bismuth tris(2-(1-methoxyethoxy)ethanolate)?
bismuth tris(2-(1-methoxyethoxy)ethanolate) has a molecular weight of 566.40 g/mol, XLogP of -2.31, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for bismuth tris(2-(1-methoxyethoxy)ethanolate) is sourced from PubChem (CID 173331005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).