butanoate;silicon(4+);titanium(4+)

C8H22O4SiTi+6 — CID 158800899

IUPACbutanoate;silicon(4+);titanium(4+)
SMILESCCCC(=O)[O-].CCCC(=O)[O-].[SiH8+4].[Ti+4]
InChIInChI=1S/2C4H8O2.H8Si.Ti/c2*1-2-3-4(5)6;;/h2*2-3H2,1H3,(H,5,6);1H8;/q;;2*+4/p-2
InChIKeyONMZQCDOOKEYCA-UHFFFAOYSA-L
MW258.21 g/mol
LogP-3.45
Rot. Bonds4

About butanoate;silicon(4+);titanium(4+)

butanoate;silicon(4+);titanium(4+) (PubChem CID 158800899) has the molecular formula C8H22O4SiTi+6 and a molecular weight of 258.21 g/mol. Its IUPAC name is butanoate;silicon(4+);titanium(4+).

Molecular Properties

Compound Namebutanoate;silicon(4+);titanium(4+)
PubChem CID158800899
Molecular FormulaC8H22O4SiTi+6
Molecular Weight258.21 g/mol
Exact Mass258.07
IUPAC Namebutanoate;silicon(4+);titanium(4+)
SMILESCCCC(=O)[O-].CCCC(=O)[O-].[SiH8+4].[Ti+4]
InChIInChI=1S/2C4H8O2.H8Si.Ti/c2*1-2-3-4(5)6;;/h2*2-3H2,1H3,(H,5,6);1H8;/q;;2*+4/p-2
InChIKeyONMZQCDOOKEYCA-UHFFFAOYSA-L
XLogP-3.45
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.21
LogP ≤ 5-3.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

butanoate;titanium(4+);acetate
CID 159866524
butanoate;tin(4+)
CID 159447903
tetrapotassium;butanoate
CID 140982885
silver butanoate
CID 14944495
strontium butanoate
CID 19035288
butanoate;bis(rhodium(3+))
CID 173415846
butanoate;ytterbium(2+)
CID 88777454
potassium butanoate
CID 23677461
magnesium butanoate
CID 6453218
butanoate;carbanide;chromium(3+)
CID 158360920
disodium;butanoate;hydroxide
CID 173219323
butanoate;titanium(2+);acetate
CID 87845450

Frequently Asked Questions

What is the IUPAC name of butanoate;silicon(4+);titanium(4+)?
The IUPAC name of butanoate;silicon(4+);titanium(4+) (CID 158800899) is butanoate;silicon(4+);titanium(4+).
What is the SMILES notation for butanoate;silicon(4+);titanium(4+)?
The canonical SMILES for butanoate;silicon(4+);titanium(4+) is CCCC(=O)[O-].CCCC(=O)[O-].[SiH8+4].[Ti+4].
What is the InChIKey of butanoate;silicon(4+);titanium(4+)?
The InChIKey is ONMZQCDOOKEYCA-UHFFFAOYSA-L. The full InChI is InChI=1S/2C4H8O2.H8Si.Ti/c2*1-2-3-4(5)6;;/h2*2-3H2,1H3,(H,5,6);1H8;/q;;2*+4/p-2.
What are the key properties of butanoate;silicon(4+);titanium(4+)?
butanoate;silicon(4+);titanium(4+) has a molecular weight of 258.21 g/mol, XLogP of -3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butanoate;silicon(4+);titanium(4+) is sourced from PubChem (CID 158800899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).