decanedioate;bis(tin(4+));benzoate

C17H21O6Sn2+5 — CID 160634216

IUPACdecanedioate;bis(tin(4+));benzoate
SMILESO=C([O-])CCCCCCCCC(=O)[O-].O=C([O-])c1ccccc1.[Sn+4].[Sn+4]
InChIInChI=1S/C10H18O4.C7H6O2.2Sn/c11-9(12)7-5-3-1-2-4-6-8-10(13)14;8-7(9)6-4-2-1-3-5-6;;/h1-8H2,(H,11,12)(H,13,14);1-5H,(H,8,9);;/q;;2*+4/p-3
InChIKeyRIIBKKOOBZVGPV-UHFFFAOYSA-K
MW558.77 g/mol
LogP-1.10
Rot. Bonds10

About decanedioate;bis(tin(4+));benzoate

decanedioate;bis(tin(4+));benzoate (PubChem CID 160634216) has the molecular formula C17H21O6Sn2+5 and a molecular weight of 558.77 g/mol. Its IUPAC name is decanedioate;bis(tin(4+));benzoate.

Molecular Properties

Compound Namedecanedioate;bis(tin(4+));benzoate
PubChem CID160634216
Molecular FormulaC17H21O6Sn2+5
Molecular Weight558.77 g/mol
Exact Mass560.94
IUPAC Namedecanedioate;bis(tin(4+));benzoate
SMILESO=C([O-])CCCCCCCCC(=O)[O-].O=C([O-])c1ccccc1.[Sn+4].[Sn+4]
InChIInChI=1S/C10H18O4.C7H6O2.2Sn/c11-9(12)7-5-3-1-2-4-6-8-10(13)14;8-7(9)6-4-2-1-3-5-6;;/h1-8H2,(H,11,12)(H,13,14);1-5H,(H,8,9);;/q;;2*+4/p-3
InChIKeyRIIBKKOOBZVGPV-UHFFFAOYSA-K
XLogP-1.10
TPSA120.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500558.77
LogP ≤ 5-1.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

triazanium;hexanedioate;benzoate
CID 178053899
dialuminum;tris(octadecanoate);tribenzoate
CID 18366499
tetrakis(oxygen(2-));tris(titanium(4+));tetrabenzoate
CID 173296038
dilithium;(Z)-octadec-9-enoate;benzoate
CID 69380584
triazanium;tribenzoate
CID 161450646
cerium(3+) tribenzoate
CID 6452877
benzoate tetrahydrate
CID 18510013
cobalt(3+) tribenzoate
CID 20537733
aluminum dibenzoate
CID 18679092
cadmium(2+) benzoate
CID 22051861
platinum(4+) tetrabenzoate
CID 173022810
azanium benzoate
CID 15830

Frequently Asked Questions

What is the IUPAC name of decanedioate;bis(tin(4+));benzoate?
The IUPAC name of decanedioate;bis(tin(4+));benzoate (CID 160634216) is decanedioate;bis(tin(4+));benzoate.
What is the SMILES notation for decanedioate;bis(tin(4+));benzoate?
The canonical SMILES for decanedioate;bis(tin(4+));benzoate is O=C([O-])CCCCCCCCC(=O)[O-].O=C([O-])c1ccccc1.[Sn+4].[Sn+4].
What is the InChIKey of decanedioate;bis(tin(4+));benzoate?
The InChIKey is RIIBKKOOBZVGPV-UHFFFAOYSA-K. The full InChI is InChI=1S/C10H18O4.C7H6O2.2Sn/c11-9(12)7-5-3-1-2-4-6-8-10(13)14;8-7(9)6-4-2-1-3-5-6;;/h1-8H2,(H,11,12)(H,13,14);1-5H,(H,8,9);;/q;;2*+4/p-3.
What are the key properties of decanedioate;bis(tin(4+));benzoate?
decanedioate;bis(tin(4+));benzoate has a molecular weight of 558.77 g/mol, XLogP of -1.10, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for decanedioate;bis(tin(4+));benzoate is sourced from PubChem (CID 160634216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).