dihexyltin(2+);bis(2-ethylhexanoate)

C28H56O4Sn — CID 87140173

IUPACdihexyltin(2+);bis(2-ethylhexanoate)
SMILESCCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCCC[Sn+2]CCCCCC
InChIInChI=1S/2C8H16O2.2C6H13.Sn/c2*1-3-5-6-7(4-2)8(9)10;2*1-3-5-6-4-2;/h2*7H,3-6H2,1-2H3,(H,9,10);2*1,3-6H2,2H3;/q;;;;+2/p-2
InChIKeyLEXUOJCQUCVWQW-UHFFFAOYSA-L
MW575.46 g/mol
LogP6.59
Rot. Bonds20

About dihexyltin(2+);bis(2-ethylhexanoate)

dihexyltin(2+);bis(2-ethylhexanoate) (PubChem CID 87140173) has the molecular formula C28H56O4Sn and a molecular weight of 575.46 g/mol. Its IUPAC name is dihexyltin(2+);bis(2-ethylhexanoate).

Molecular Properties

Compound Namedihexyltin(2+);bis(2-ethylhexanoate)
PubChem CID87140173
Molecular FormulaC28H56O4Sn
Molecular Weight575.46 g/mol
Exact Mass576.32
IUPAC Namedihexyltin(2+);bis(2-ethylhexanoate)
SMILESCCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCCC[Sn+2]CCCCCC
InChIInChI=1S/2C8H16O2.2C6H13.Sn/c2*1-3-5-6-7(4-2)8(9)10;2*1-3-5-6-4-2;/h2*7H,3-6H2,1-2H3,(H,9,10);2*1,3-6H2,2H3;/q;;;;+2/p-2
InChIKeyLEXUOJCQUCVWQW-UHFFFAOYSA-L
XLogP6.59
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.46
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 21474875
CID 21474875
potassium 2-ethyldodecanoate
CID 90238812
lithium 2-ethyloctanoate
CID 155386691
bis(copper(1+));bis(2-ethylhexanoate)
CID 21116994
bis(2-ethylhexanoate);zirconium(2+)
CID 13388286
tetrakis(2-ethylhexanoate);tin(4+)
CID 22506300
gallium 2-ethylhexanoate
CID 21118224
tetrakis(2-ethylhexanoate);thorium(4+)
CID 175390088
bis(2-ethylhexanoate);molybdenum(2+)
CID 19602338
tetrakis(2-ethylhexanoate);bis(zirconium(4+))
CID 175920407
2-ethylhexanoate;tin(2+)
CID 23616604
bis(2-ethylhexanoate);titanium(4+);dichloride
CID 173230651

Frequently Asked Questions

What is the IUPAC name of dihexyltin(2+);bis(2-ethylhexanoate)?
The IUPAC name of dihexyltin(2+);bis(2-ethylhexanoate) (CID 87140173) is dihexyltin(2+);bis(2-ethylhexanoate).
What is the SMILES notation for dihexyltin(2+);bis(2-ethylhexanoate)?
The canonical SMILES for dihexyltin(2+);bis(2-ethylhexanoate) is CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCCC[Sn+2]CCCCCC.
What is the InChIKey of dihexyltin(2+);bis(2-ethylhexanoate)?
The InChIKey is LEXUOJCQUCVWQW-UHFFFAOYSA-L. The full InChI is InChI=1S/2C8H16O2.2C6H13.Sn/c2*1-3-5-6-7(4-2)8(9)10;2*1-3-5-6-4-2;/h2*7H,3-6H2,1-2H3,(H,9,10);2*1,3-6H2,2H3;/q;;;;+2/p-2.
What are the key properties of dihexyltin(2+);bis(2-ethylhexanoate)?
dihexyltin(2+);bis(2-ethylhexanoate) has a molecular weight of 575.46 g/mol, XLogP of 6.59, 20 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dihexyltin(2+);bis(2-ethylhexanoate) is sourced from PubChem (CID 87140173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).