strontium bis(6-hydroxyhexanoate)

C12H22O6Sr — CID 156828259

IUPACstrontium bis(6-hydroxyhexanoate)
SMILESO=C([O-])CCCCCO.O=C([O-])CCCCCO.[Sr+2]
InChIInChI=1S/2C6H12O3.Sr/c2*7-5-3-1-2-4-6(8)9;/h2*7H,1-5H2,(H,8,9);/q;;+2/p-2
InChIKeyJSHBXBYUOBINNE-UHFFFAOYSA-L
MW349.92 g/mol
LogP-1.80
Rot. Bonds10

About strontium bis(6-hydroxyhexanoate)

strontium bis(6-hydroxyhexanoate) (PubChem CID 156828259) has the molecular formula C12H22O6Sr and a molecular weight of 349.92 g/mol. Its IUPAC name is strontium bis(6-hydroxyhexanoate).

Molecular Properties

Compound Namestrontium bis(6-hydroxyhexanoate)
PubChem CID156828259
Molecular FormulaC12H22O6Sr
Molecular Weight349.92 g/mol
Exact Mass350.05
IUPAC Namestrontium bis(6-hydroxyhexanoate)
SMILESO=C([O-])CCCCCO.O=C([O-])CCCCCO.[Sr+2]
InChIInChI=1S/2C6H12O3.Sr/c2*7-5-3-1-2-4-6(8)9;/h2*7H,1-5H2,(H,8,9);/q;;+2/p-2
InChIKeyJSHBXBYUOBINNE-UHFFFAOYSA-L
XLogP-1.80
TPSA120.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.92
LogP ≤ 5-1.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

30-hydroxytriacontanoate
CID 71768153
magnesium bis(6-hydroxyhexanoate)
CID 156828255
tetrakis(6-hydroxyhexanoate);titanium(4+)
CID 173190701
CID 173101164
CID 173101164
calcium;lithium;tris(18-hydroxyoctadecanoate)
CID 173343928
strontium hexanedioate
CID 134687758
tridecanedioate
CID 6994474
sodium;dodecan-1-ol;octadecanoate
CID 174506535
sodium 4-hydroxy(1,2,3,4-13C4)butanoate
CID 139025091
dipotassium;octadecanedioate
CID 141466899
disodium;undecanedioate
CID 15107599
calcium decanedioate
CID 11637296

Frequently Asked Questions

What is the IUPAC name of strontium bis(6-hydroxyhexanoate)?
The IUPAC name of strontium bis(6-hydroxyhexanoate) (CID 156828259) is strontium bis(6-hydroxyhexanoate).
What is the SMILES notation for strontium bis(6-hydroxyhexanoate)?
The canonical SMILES for strontium bis(6-hydroxyhexanoate) is O=C([O-])CCCCCO.O=C([O-])CCCCCO.[Sr+2].
What is the InChIKey of strontium bis(6-hydroxyhexanoate)?
The InChIKey is JSHBXBYUOBINNE-UHFFFAOYSA-L. The full InChI is InChI=1S/2C6H12O3.Sr/c2*7-5-3-1-2-4-6(8)9;/h2*7H,1-5H2,(H,8,9);/q;;+2/p-2.
What are the key properties of strontium bis(6-hydroxyhexanoate)?
strontium bis(6-hydroxyhexanoate) has a molecular weight of 349.92 g/mol, XLogP of -1.80, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for strontium bis(6-hydroxyhexanoate) is sourced from PubChem (CID 156828259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).