tetrakis(4-ethylhexanoate);tin(4+)

C32H60O8Sn — CID 161046368

IUPACtetrakis(4-ethylhexanoate);tin(4+)
SMILESCCC(CC)CCC(=O)[O-].CCC(CC)CCC(=O)[O-].CCC(CC)CCC(=O)[O-].CCC(CC)CCC(=O)[O-].[Sn+4]
InChIInChI=1S/4C8H16O2.Sn/c4*1-3-7(4-2)5-6-8(9)10;/h4*7H,3-6H2,1-2H3,(H,9,10);/q;;;;+4/p-4
InChIKeyUBNYTAKKEDDGDQ-UHFFFAOYSA-J
MW691.54 g/mol
LogP3.43
Rot. Bonds20

About tetrakis(4-ethylhexanoate);tin(4+)

tetrakis(4-ethylhexanoate);tin(4+) (PubChem CID 161046368) has the molecular formula C32H60O8Sn and a molecular weight of 691.54 g/mol. Its IUPAC name is tetrakis(4-ethylhexanoate);tin(4+).

Molecular Properties

Compound Nametetrakis(4-ethylhexanoate);tin(4+)
PubChem CID161046368
Molecular FormulaC32H60O8Sn
Molecular Weight691.54 g/mol
Exact Mass692.33
IUPAC Nametetrakis(4-ethylhexanoate);tin(4+)
SMILESCCC(CC)CCC(=O)[O-].CCC(CC)CCC(=O)[O-].CCC(CC)CCC(=O)[O-].CCC(CC)CCC(=O)[O-].[Sn+4]
InChIInChI=1S/4C8H16O2.Sn/c4*1-3-7(4-2)5-6-8(9)10;/h4*7H,3-6H2,1-2H3,(H,9,10);/q;;;;+4/p-4
InChIKeyUBNYTAKKEDDGDQ-UHFFFAOYSA-J
XLogP3.43
TPSA160.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds20
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500691.54
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of tetrakis(4-ethylhexanoate);tin(4+)?
The IUPAC name of tetrakis(4-ethylhexanoate);tin(4+) (CID 161046368) is tetrakis(4-ethylhexanoate);tin(4+).
What is the SMILES notation for tetrakis(4-ethylhexanoate);tin(4+)?
The canonical SMILES for tetrakis(4-ethylhexanoate);tin(4+) is CCC(CC)CCC(=O)[O-].CCC(CC)CCC(=O)[O-].CCC(CC)CCC(=O)[O-].CCC(CC)CCC(=O)[O-].[Sn+4].
What is the InChIKey of tetrakis(4-ethylhexanoate);tin(4+)?
The InChIKey is UBNYTAKKEDDGDQ-UHFFFAOYSA-J. The full InChI is InChI=1S/4C8H16O2.Sn/c4*1-3-7(4-2)5-6-8(9)10;/h4*7H,3-6H2,1-2H3,(H,9,10);/q;;;;+4/p-4.
What are the key properties of tetrakis(4-ethylhexanoate);tin(4+)?
tetrakis(4-ethylhexanoate);tin(4+) has a molecular weight of 691.54 g/mol, XLogP of 3.43, 20 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(4-ethylhexanoate);tin(4+) is sourced from PubChem (CID 161046368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).