dioctyltin(2+) sulfate

C16H34O4SSn — CID 160759291

IUPACdioctyltin(2+) sulfate
SMILESCCCCCCCC[Sn+2]CCCCCCCC.O=S(=O)([O-])[O-]
InChIInChI=1S/2C8H17.H2O4S.Sn/c2*1-3-5-7-8-6-4-2;1-5(2,3)4;/h2*1,3-8H2,2H3;(H2,1,2,3,4);/q;;;+2/p-2
InChIKeyRXVPLCKJAVLATD-UHFFFAOYSA-L
MW441.22 g/mol
LogP4.91
Rot. Bonds14

About dioctyltin(2+) sulfate

dioctyltin(2+) sulfate (PubChem CID 160759291) has the molecular formula C16H34O4SSn and a molecular weight of 441.22 g/mol. Its IUPAC name is dioctyltin(2+) sulfate.

Molecular Properties

Compound Namedioctyltin(2+) sulfate
PubChem CID160759291
Molecular FormulaC16H34O4SSn
Molecular Weight441.22 g/mol
Exact Mass442.12
IUPAC Namedioctyltin(2+) sulfate
SMILESCCCCCCCC[Sn+2]CCCCCCCC.O=S(=O)([O-])[O-]
InChIInChI=1S/2C8H17.H2O4S.Sn/c2*1-3-5-7-8-6-4-2;1-5(2,3)4;/h2*1,3-8H2,2H3;(H2,1,2,3,4);/q;;;+2/p-2
InChIKeyRXVPLCKJAVLATD-UHFFFAOYSA-L
XLogP4.91
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.22
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

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Related Compounds

di(nonyl)tin(2+)
CID 157300881
bis(2-aminoethanesulfonate);dioctyltin(2+)
CID 175974039
diheptyltin(2+) dichloride
CID 21324912
disodium;bis(tetradecane);sulfate
CID 173098136
sodium;dodecane;sulfate
CID 23355954
zinc;octan-1-ol;sulfate
CID 174737582
disodium;dodecan-1-ol;molecular oxygen;sulfate
CID 174277972
bis(dioctyltin(2+));tetrakis(dodecanoate)
CID 160899989
dioctyltin(2+);bis(octane-1-thiolate)
CID 23177277
octylazanium;sulfate
CID 87714647
bis(nonan-1-amine);sulfate
CID 21153128
hexylazanium;sulfate
CID 88757421

Frequently Asked Questions

What is the IUPAC name of dioctyltin(2+) sulfate?
The IUPAC name of dioctyltin(2+) sulfate (CID 160759291) is dioctyltin(2+) sulfate.
What is the SMILES notation for dioctyltin(2+) sulfate?
The canonical SMILES for dioctyltin(2+) sulfate is CCCCCCCC[Sn+2]CCCCCCCC.O=S(=O)([O-])[O-].
What is the InChIKey of dioctyltin(2+) sulfate?
The InChIKey is RXVPLCKJAVLATD-UHFFFAOYSA-L. The full InChI is InChI=1S/2C8H17.H2O4S.Sn/c2*1-3-5-7-8-6-4-2;1-5(2,3)4;/h2*1,3-8H2,2H3;(H2,1,2,3,4);/q;;;+2/p-2.
What are the key properties of dioctyltin(2+) sulfate?
dioctyltin(2+) sulfate has a molecular weight of 441.22 g/mol, XLogP of 4.91, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dioctyltin(2+) sulfate is sourced from PubChem (CID 160759291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).