tetrakis(nonan-5-olate);tin(4+)

C36H76O4Sn — CID 160574109

IUPACtetrakis(nonan-5-olate);tin(4+)
SMILESCCCCC([O-])CCCC.CCCCC([O-])CCCC.CCCCC([O-])CCCC.CCCCC([O-])CCCC.[Sn+4]
InChIInChI=1S/4C9H19O.Sn/c4*1-3-5-7-9(10)8-6-4-2;/h4*9H,3-8H2,1-2H3;/q4*-1;+4
InChIKeyRAXQHQMRRISHHD-UHFFFAOYSA-N
MW691.71 g/mol
LogP8.00
Rot. Bonds24

About tetrakis(nonan-5-olate);tin(4+)

tetrakis(nonan-5-olate);tin(4+) (PubChem CID 160574109) has the molecular formula C36H76O4Sn and a molecular weight of 691.71 g/mol. Its IUPAC name is tetrakis(nonan-5-olate);tin(4+).

Molecular Properties

Compound Nametetrakis(nonan-5-olate);tin(4+)
PubChem CID160574109
Molecular FormulaC36H76O4Sn
Molecular Weight691.71 g/mol
Exact Mass692.48
IUPAC Nametetrakis(nonan-5-olate);tin(4+)
SMILESCCCCC([O-])CCCC.CCCCC([O-])CCCC.CCCCC([O-])CCCC.CCCCC([O-])CCCC.[Sn+4]
InChIInChI=1S/4C9H19O.Sn/c4*1-3-5-7-9(10)8-6-4-2;/h4*9H,3-8H2,1-2H3;/q4*-1;+4
InChIKeyRAXQHQMRRISHHD-UHFFFAOYSA-N
XLogP8.00
TPSA92.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds24
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500691.71
LogP ≤ 58.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

potassium heptan-3-olate
CID 140992163
tetrakis(octan-3-olate);titanium(4+)
CID 22250648
tetrabutylphosphanium;tin(4+)
CID 160650774
lithium hexan-2-olate
CID 141423009
dibutyl-ethyl-methylphosphanium
CID 58444360
tributyl(methyl)phosphanium iodate
CID 158924304
dilithium;(3R)-undecan-3-olate
CID 134905430
sodium 1-aminododecan-2-olate
CID 88793038
tetrakis(hexan-3-olate);titanium(4+)
CID 158546387
tetrakis(hexan-3-olate);zirconium(4+)
CID 161428772
tributyl(ethyl)phosphanium;yttrium
CID 157495061
tetrakis(2-ethylhexanoate);tin(4+)
CID 22506300

Frequently Asked Questions

What is the IUPAC name of tetrakis(nonan-5-olate);tin(4+)?
The IUPAC name of tetrakis(nonan-5-olate);tin(4+) (CID 160574109) is tetrakis(nonan-5-olate);tin(4+).
What is the SMILES notation for tetrakis(nonan-5-olate);tin(4+)?
The canonical SMILES for tetrakis(nonan-5-olate);tin(4+) is CCCCC([O-])CCCC.CCCCC([O-])CCCC.CCCCC([O-])CCCC.CCCCC([O-])CCCC.[Sn+4].
What is the InChIKey of tetrakis(nonan-5-olate);tin(4+)?
The InChIKey is RAXQHQMRRISHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/4C9H19O.Sn/c4*1-3-5-7-9(10)8-6-4-2;/h4*9H,3-8H2,1-2H3;/q4*-1;+4.
What are the key properties of tetrakis(nonan-5-olate);tin(4+)?
tetrakis(nonan-5-olate);tin(4+) has a molecular weight of 691.71 g/mol, XLogP of 8.00, 24 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(nonan-5-olate);tin(4+) is sourced from PubChem (CID 160574109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).