strontium butanoate

C8H14O4Sr — CID 19035288

IUPACstrontium butanoate
SMILESCCCC(=O)[O-].CCCC(=O)[O-].[Sr+2]
InChIInChI=1S/2C4H8O2.Sr/c2*1-2-3-4(5)6;/h2*2-3H2,1H3,(H,5,6);/q;;+2/p-2
InChIKeyITUCOQTVTSFGRJ-UHFFFAOYSA-L
MW261.82 g/mol
LogP-1.31
Rot. Bonds4

About strontium butanoate

strontium butanoate (PubChem CID 19035288) has the molecular formula C8H14O4Sr and a molecular weight of 261.82 g/mol. Its IUPAC name is strontium butanoate.

Molecular Properties

Compound Namestrontium butanoate
PubChem CID19035288
Molecular FormulaC8H14O4Sr
Molecular Weight261.82 g/mol
Exact Mass261.99
IUPAC Namestrontium butanoate
SMILESCCCC(=O)[O-].CCCC(=O)[O-].[Sr+2]
InChIInChI=1S/2C4H8O2.Sr/c2*1-2-3-4(5)6;/h2*2-3H2,1H3,(H,5,6);/q;;+2/p-2
InChIKeyITUCOQTVTSFGRJ-UHFFFAOYSA-L
XLogP-1.31
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.82
LogP ≤ 5-1.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of strontium butanoate?
The IUPAC name of strontium butanoate (CID 19035288) is strontium butanoate.
What is the SMILES notation for strontium butanoate?
The canonical SMILES for strontium butanoate is CCCC(=O)[O-].CCCC(=O)[O-].[Sr+2].
What is the InChIKey of strontium butanoate?
The InChIKey is ITUCOQTVTSFGRJ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C4H8O2.Sr/c2*1-2-3-4(5)6;/h2*2-3H2,1H3,(H,5,6);/q;;+2/p-2.
What are the key properties of strontium butanoate?
strontium butanoate has a molecular weight of 261.82 g/mol, XLogP of -1.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for strontium butanoate is sourced from PubChem (CID 19035288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).