strontium;hexakis(butan-1-olate);titanium(4+)

C24H54O6SrTi — CID 161415283

IUPACstrontium;hexakis(butan-1-olate);titanium(4+)
SMILESCCCC[O-].CCCC[O-].CCCC[O-].CCCC[O-].CCCC[O-].CCCC[O-].[Sr+2].[Ti+4]
InChIInChI=1S/6C4H9O.Sr.Ti/c6*1-2-3-4-5;;/h6*2-4H2,1H3;;/q6*-1;+2;+4
InChIKeyVVZRQOYLEJPZTD-UHFFFAOYSA-N
MW574.18 g/mol
LogP0.50
Rot. Bonds12

About strontium;hexakis(butan-1-olate);titanium(4+)

strontium;hexakis(butan-1-olate);titanium(4+) (PubChem CID 161415283) has the molecular formula C24H54O6SrTi and a molecular weight of 574.18 g/mol. Its IUPAC name is strontium;hexakis(butan-1-olate);titanium(4+).

Molecular Properties

Compound Namestrontium;hexakis(butan-1-olate);titanium(4+)
PubChem CID161415283
Molecular FormulaC24H54O6SrTi
Molecular Weight574.18 g/mol
Exact Mass574.25
IUPAC Namestrontium;hexakis(butan-1-olate);titanium(4+)
SMILESCCCC[O-].CCCC[O-].CCCC[O-].CCCC[O-].CCCC[O-].CCCC[O-].[Sr+2].[Ti+4]
InChIInChI=1S/6C4H9O.Sr.Ti/c6*1-2-3-4-5;;/h6*2-4H2,1H3;;/q6*-1;+2;+4
InChIKeyVVZRQOYLEJPZTD-UHFFFAOYSA-N
XLogP0.50
TPSA138.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500574.18
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of strontium;hexakis(butan-1-olate);titanium(4+)?
The IUPAC name of strontium;hexakis(butan-1-olate);titanium(4+) (CID 161415283) is strontium;hexakis(butan-1-olate);titanium(4+).
What is the SMILES notation for strontium;hexakis(butan-1-olate);titanium(4+)?
The canonical SMILES for strontium;hexakis(butan-1-olate);titanium(4+) is CCCC[O-].CCCC[O-].CCCC[O-].CCCC[O-].CCCC[O-].CCCC[O-].[Sr+2].[Ti+4].
What is the InChIKey of strontium;hexakis(butan-1-olate);titanium(4+)?
The InChIKey is VVZRQOYLEJPZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/6C4H9O.Sr.Ti/c6*1-2-3-4-5;;/h6*2-4H2,1H3;;/q6*-1;+2;+4.
What are the key properties of strontium;hexakis(butan-1-olate);titanium(4+)?
strontium;hexakis(butan-1-olate);titanium(4+) has a molecular weight of 574.18 g/mol, XLogP of 0.50, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for strontium;hexakis(butan-1-olate);titanium(4+) is sourced from PubChem (CID 161415283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).