diethyltin(2+);bis(2,4-dioxopentadecanoate)

C34H60O8Sn — CID 23184166

IUPACdiethyltin(2+);bis(2,4-dioxopentadecanoate)
SMILESCCCCCCCCCCCC(=O)CC(=O)C(=O)[O-].CCCCCCCCCCCC(=O)CC(=O)C(=O)[O-].CC[Sn+2]CC
InChIInChI=1S/2C15H26O4.2C2H5.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-13(16)12-14(17)15(18)19;2*1-2;/h2*2-12H2,1H3,(H,18,19);2*1H2,2H3;/q;;;;+2/p-2
InChIKeyXGHMWPMWFROIEI-UHFFFAOYSA-L
MW715.56 g/mol
LogP5.94
Rot. Bonds28

About diethyltin(2+);bis(2,4-dioxopentadecanoate)

diethyltin(2+);bis(2,4-dioxopentadecanoate) (PubChem CID 23184166) has the molecular formula C34H60O8Sn and a molecular weight of 715.56 g/mol. Its IUPAC name is diethyltin(2+);bis(2,4-dioxopentadecanoate).

Molecular Properties

Compound Namediethyltin(2+);bis(2,4-dioxopentadecanoate)
PubChem CID23184166
Molecular FormulaC34H60O8Sn
Molecular Weight715.56 g/mol
Exact Mass716.33
IUPAC Namediethyltin(2+);bis(2,4-dioxopentadecanoate)
SMILESCCCCCCCCCCCC(=O)CC(=O)C(=O)[O-].CCCCCCCCCCCC(=O)CC(=O)C(=O)[O-].CC[Sn+2]CC
InChIInChI=1S/2C15H26O4.2C2H5.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-13(16)12-14(17)15(18)19;2*1-2;/h2*2-12H2,1H3,(H,18,19);2*1H2,2H3;/q;;;;+2/p-2
InChIKeyXGHMWPMWFROIEI-UHFFFAOYSA-L
XLogP5.94
TPSA148.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds28
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.56
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

3-oxotriacontanoate
CID 171037411
heptacosane-10,12-dione
CID 14235516
2,4-dioxodecanoic acid
CID 21475711
sodium 3-oxooctadecanoate
CID 155047798
aluminum tris(3-oxohexadecanoate)
CID 157124635
aluminum tris(3-oxotridecanoate)
CID 23498356
octacosan-8-one
CID 86052342
pentacosane-7,19-dione
CID 139254510
nonatriacontane-8,29-dione
CID 150237018
nonadecan-7-one
CID 12913434
pentadecan-8-one
CID 13162
tricosan-12-one
CID 10888

Frequently Asked Questions

What is the IUPAC name of diethyltin(2+);bis(2,4-dioxopentadecanoate)?
The IUPAC name of diethyltin(2+);bis(2,4-dioxopentadecanoate) (CID 23184166) is diethyltin(2+);bis(2,4-dioxopentadecanoate).
What is the SMILES notation for diethyltin(2+);bis(2,4-dioxopentadecanoate)?
The canonical SMILES for diethyltin(2+);bis(2,4-dioxopentadecanoate) is CCCCCCCCCCCC(=O)CC(=O)C(=O)[O-].CCCCCCCCCCCC(=O)CC(=O)C(=O)[O-].CC[Sn+2]CC.
What is the InChIKey of diethyltin(2+);bis(2,4-dioxopentadecanoate)?
The InChIKey is XGHMWPMWFROIEI-UHFFFAOYSA-L. The full InChI is InChI=1S/2C15H26O4.2C2H5.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-13(16)12-14(17)15(18)19;2*1-2;/h2*2-12H2,1H3,(H,18,19);2*1H2,2H3;/q;;;;+2/p-2.
What are the key properties of diethyltin(2+);bis(2,4-dioxopentadecanoate)?
diethyltin(2+);bis(2,4-dioxopentadecanoate) has a molecular weight of 715.56 g/mol, XLogP of 5.94, 28 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for diethyltin(2+);bis(2,4-dioxopentadecanoate) is sourced from PubChem (CID 23184166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).