diphenylstibane;2-ethylhexanoate

C20H26O2Sb- — CID 20835772

IUPACdiphenylstibane;2-ethylhexanoate
SMILESCCCCC(CC)C(=O)[O-].c1ccc([SbH]c2ccccc2)cc1
InChIInChI=1S/C8H16O2.2C6H5.Sb.H/c1-3-5-6-7(4-2)8(9)10;2*1-2-4-6-5-3-1;;/h7H,3-6H2,1-2H3,(H,9,10);2*1-5H;;/p-1
InChIKeyTVTKADOYGNSSRT-UHFFFAOYSA-M
MW420.19 g/mol
LogP2.03
Rot. Bonds7

About diphenylstibane;2-ethylhexanoate

diphenylstibane;2-ethylhexanoate (PubChem CID 20835772) has the molecular formula C20H26O2Sb- and a molecular weight of 420.19 g/mol. Its IUPAC name is diphenylstibane;2-ethylhexanoate.

Molecular Properties

Compound Namediphenylstibane;2-ethylhexanoate
PubChem CID20835772
Molecular FormulaC20H26O2Sb-
Molecular Weight420.19 g/mol
Exact Mass419.10
IUPAC Namediphenylstibane;2-ethylhexanoate
SMILESCCCCC(CC)C(=O)[O-].c1ccc([SbH]c2ccccc2)cc1
InChIInChI=1S/C8H16O2.2C6H5.Sb.H/c1-3-5-6-7(4-2)8(9)10;2*1-2-4-6-5-3-1;;/h7H,3-6H2,1-2H3,(H,9,10);2*1-5H;;/p-1
InChIKeyTVTKADOYGNSSRT-UHFFFAOYSA-M
XLogP2.03
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.19
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tetrakis(2-ethylhexanoate);tin(4+)
CID 22506300
gallium 2-ethylhexanoate
CID 21118224
CID 21474875
CID 21474875
bis(2-ethylhexanoate);zirconium(2+)
CID 13388286
tetrakis(2-ethylhexanoate);thorium(4+)
CID 175390088
bis(copper(1+));bis(2-ethylhexanoate)
CID 21116994
bis(2-ethylhexanoate);molybdenum(2+)
CID 19602338
tetrakis(2-ethylhexanoate);bis(zirconium(4+))
CID 175920407
2-ethylhexanoate;tin(2+)
CID 23616604
cerium(3+);tris(2-ethylhexanoate);2-ethylhexanoic acid
CID 172697860
bis(2-ethylhexanoate);titanium(4+);dichloride
CID 173230651
zinc;2-ethylhexanoate;2-ethylhexanoic acid
CID 165000820

Frequently Asked Questions

What is the IUPAC name of diphenylstibane;2-ethylhexanoate?
The IUPAC name of diphenylstibane;2-ethylhexanoate (CID 20835772) is diphenylstibane;2-ethylhexanoate.
What is the SMILES notation for diphenylstibane;2-ethylhexanoate?
The canonical SMILES for diphenylstibane;2-ethylhexanoate is CCCCC(CC)C(=O)[O-].c1ccc([SbH]c2ccccc2)cc1.
What is the InChIKey of diphenylstibane;2-ethylhexanoate?
The InChIKey is TVTKADOYGNSSRT-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H16O2.2C6H5.Sb.H/c1-3-5-6-7(4-2)8(9)10;2*1-2-4-6-5-3-1;;/h7H,3-6H2,1-2H3,(H,9,10);2*1-5H;;/p-1.
What are the key properties of diphenylstibane;2-ethylhexanoate?
diphenylstibane;2-ethylhexanoate has a molecular weight of 420.19 g/mol, XLogP of 2.03, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diphenylstibane;2-ethylhexanoate is sourced from PubChem (CID 20835772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).