strontium hexanedioate

C6H8O4Sr — CID 134687758

IUPACstrontium hexanedioate
SMILESO=C([O-])CCCCC(=O)[O-].[Sr+2]
InChIInChI=1S/C6H10O4.Sr/c7-5(8)3-1-2-4-6(9)10;/h1-4H2,(H,7,8)(H,9,10);/q;+2/p-2
InChIKeyLTMDDMGNVZBECP-UHFFFAOYSA-L
MW231.75 g/mol
LogP-2.33
Rot. Bonds5

About strontium hexanedioate

strontium hexanedioate (PubChem CID 134687758) has the molecular formula C6H8O4Sr and a molecular weight of 231.75 g/mol. Its IUPAC name is strontium hexanedioate.

Molecular Properties

Compound Namestrontium hexanedioate
PubChem CID134687758
Molecular FormulaC6H8O4Sr
Molecular Weight231.75 g/mol
Exact Mass231.95
IUPAC Namestrontium hexanedioate
SMILESO=C([O-])CCCCC(=O)[O-].[Sr+2]
InChIInChI=1S/C6H10O4.Sr/c7-5(8)3-1-2-4-6(9)10;/h1-4H2,(H,7,8)(H,9,10);/q;+2/p-2
InChIKeyLTMDDMGNVZBECP-UHFFFAOYSA-L
XLogP-2.33
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.75
LogP ≤ 5-2.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

cadmium(2+);hexanedioate
CID 19376883
magnesium hexanedioate
CID 24074
tridecanedioate
CID 6994474
disodium;undecanedioate
CID 15107599
dipotassium;octadecanedioate
CID 141466899
calcium decanedioate
CID 11637296
decanedioate dichloride
CID 21256251
dibismuth;tris(nonanedioate)
CID 173224370
lithium;hexanedioate;hydron
CID 87066964
calcium heptanedioate
CID 71587031
calcium undecanedioate
CID 140969229
diazanium;decanedioate;tetrahydrate
CID 164522068

Frequently Asked Questions

What is the IUPAC name of strontium hexanedioate?
The IUPAC name of strontium hexanedioate (CID 134687758) is strontium hexanedioate.
What is the SMILES notation for strontium hexanedioate?
The canonical SMILES for strontium hexanedioate is O=C([O-])CCCCC(=O)[O-].[Sr+2].
What is the InChIKey of strontium hexanedioate?
The InChIKey is LTMDDMGNVZBECP-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H10O4.Sr/c7-5(8)3-1-2-4-6(9)10;/h1-4H2,(H,7,8)(H,9,10);/q;+2/p-2.
What are the key properties of strontium hexanedioate?
strontium hexanedioate has a molecular weight of 231.75 g/mol, XLogP of -2.33, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for strontium hexanedioate is sourced from PubChem (CID 134687758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).