tetrakis(1-(1-methoxyethoxy)ethanolate);titanium(4+)

C20H44O12Ti — CID 175352265

IUPACtetrakis(1-(1-methoxyethoxy)ethanolate);titanium(4+)
SMILESCOC(C)OC(C)[O-].COC(C)OC(C)[O-].COC(C)OC(C)[O-].COC(C)OC(C)[O-].[Ti+4]
InChIInChI=1S/4C5H11O3.Ti/c4*1-4(6)8-5(2)7-3;/h4*4-5H,1-3H3;/q4*-1;+4
InChIKeyGZOPXCFXBQFWHS-UHFFFAOYSA-N
MW524.43 g/mol
LogP-1.20
Rot. Bonds12

About tetrakis(1-(1-methoxyethoxy)ethanolate);titanium(4+)

tetrakis(1-(1-methoxyethoxy)ethanolate);titanium(4+) (PubChem CID 175352265) has the molecular formula C20H44O12Ti and a molecular weight of 524.43 g/mol. Its IUPAC name is tetrakis(1-(1-methoxyethoxy)ethanolate);titanium(4+).

Molecular Properties

Compound Nametetrakis(1-(1-methoxyethoxy)ethanolate);titanium(4+)
PubChem CID175352265
Molecular FormulaC20H44O12Ti
Molecular Weight524.43 g/mol
Exact Mass524.23
IUPAC Nametetrakis(1-(1-methoxyethoxy)ethanolate);titanium(4+)
SMILESCOC(C)OC(C)[O-].COC(C)OC(C)[O-].COC(C)OC(C)[O-].COC(C)OC(C)[O-].[Ti+4]
InChIInChI=1S/4C5H11O3.Ti/c4*1-4(6)8-5(2)7-3;/h4*4-5H,1-3H3;/q4*-1;+4
InChIKeyGZOPXCFXBQFWHS-UHFFFAOYSA-N
XLogP-1.20
TPSA166.08 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.43
LogP ≤ 5-1.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tetrakis(1-(1-methoxyethoxy)ethanolate);titanium(4+)?
The IUPAC name of tetrakis(1-(1-methoxyethoxy)ethanolate);titanium(4+) (CID 175352265) is tetrakis(1-(1-methoxyethoxy)ethanolate);titanium(4+).
What is the SMILES notation for tetrakis(1-(1-methoxyethoxy)ethanolate);titanium(4+)?
The canonical SMILES for tetrakis(1-(1-methoxyethoxy)ethanolate);titanium(4+) is COC(C)OC(C)[O-].COC(C)OC(C)[O-].COC(C)OC(C)[O-].COC(C)OC(C)[O-].[Ti+4].
What is the InChIKey of tetrakis(1-(1-methoxyethoxy)ethanolate);titanium(4+)?
The InChIKey is GZOPXCFXBQFWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/4C5H11O3.Ti/c4*1-4(6)8-5(2)7-3;/h4*4-5H,1-3H3;/q4*-1;+4.
What are the key properties of tetrakis(1-(1-methoxyethoxy)ethanolate);titanium(4+)?
tetrakis(1-(1-methoxyethoxy)ethanolate);titanium(4+) has a molecular weight of 524.43 g/mol, XLogP of -1.20, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(1-(1-methoxyethoxy)ethanolate);titanium(4+) is sourced from PubChem (CID 175352265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).