pentakis(2,2-dibutylhexanoate);palladium(2+);tin(3+) monohydride;tetrakis(triphenylphosphane)

C142H196O10P4PdSn — CID 173323702

IUPACpentakis(2,2-dibutylhexanoate);palladium(2+);tin(3+) monohydride;tetrakis(triphenylphosphane)
SMILESCCCCC(CCCC)(CCCC)C(=O)[O-].CCCCC(CCCC)(CCCC)C(=O)[O-].CCCCC(CCCC)(CCCC)C(=O)[O-].CCCCC(CCCC)(CCCC)C(=O)[O-].CCCCC(CCCC)(CCCC)C(=O)[O-].[Pd+2].[SnH+3].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/4C18H15P.5C14H28O2.Pd.Sn.H/c4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;5*1-4-7-10-14(13(15)16,11-8-5-2)12-9-6-3;;;/h4*1-15H;5*4-12H2,1-3H3,(H,15,16);;;/q;;;;;;;;;+2;+3;/p-5
InChIKeyIWOKKUSJZOTEBC-UHFFFAOYSA-I
MW2412.15 g/mol
LogP29.59
Rot. Bonds62

About pentakis(2,2-dibutylhexanoate);palladium(2+);tin(3+) monohydride;tetrakis(triphenylphosphane)

pentakis(2,2-dibutylhexanoate);palladium(2+);tin(3+) monohydride;tetrakis(triphenylphosphane) (PubChem CID 173323702) has the molecular formula C142H196O10P4PdSn and a molecular weight of 2412.15 g/mol. Its IUPAC name is pentakis(2,2-dibutylhexanoate);palladium(2+);tin(3+) monohydride;tetrakis(triphenylphosphane).

Molecular Properties

Compound Namepentakis(2,2-dibutylhexanoate);palladium(2+);tin(3+) monohydride;tetrakis(triphenylphosphane)
PubChem CID173323702
Molecular FormulaC142H196O10P4PdSn
Molecular Weight2412.15 g/mol
Exact Mass2411.18
IUPAC Namepentakis(2,2-dibutylhexanoate);palladium(2+);tin(3+) monohydride;tetrakis(triphenylphosphane)
SMILESCCCCC(CCCC)(CCCC)C(=O)[O-].CCCCC(CCCC)(CCCC)C(=O)[O-].CCCCC(CCCC)(CCCC)C(=O)[O-].CCCCC(CCCC)(CCCC)C(=O)[O-].CCCCC(CCCC)(CCCC)C(=O)[O-].[Pd+2].[SnH+3].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/4C18H15P.5C14H28O2.Pd.Sn.H/c4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;5*1-4-7-10-14(13(15)16,11-8-5-2)12-9-6-3;;;/h4*1-15H;5*4-12H2,1-3H3,(H,15,16);;;/q;;;;;;;;;+2;+3;/p-5
InChIKeyIWOKKUSJZOTEBC-UHFFFAOYSA-I
XLogP29.59
TPSA200.65 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds62
Heavy Atoms158
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002412.15
LogP ≤ 529.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of pentakis(2,2-dibutylhexanoate);palladium(2+);tin(3+) monohydride;tetrakis(triphenylphosphane)?
The IUPAC name of pentakis(2,2-dibutylhexanoate);palladium(2+);tin(3+) monohydride;tetrakis(triphenylphosphane) (CID 173323702) is pentakis(2,2-dibutylhexanoate);palladium(2+);tin(3+) monohydride;tetrakis(triphenylphosphane).
What is the SMILES notation for pentakis(2,2-dibutylhexanoate);palladium(2+);tin(3+) monohydride;tetrakis(triphenylphosphane)?
The canonical SMILES for pentakis(2,2-dibutylhexanoate);palladium(2+);tin(3+) monohydride;tetrakis(triphenylphosphane) is CCCCC(CCCC)(CCCC)C(=O)[O-].CCCCC(CCCC)(CCCC)C(=O)[O-].CCCCC(CCCC)(CCCC)C(=O)[O-].CCCCC(CCCC)(CCCC)C(=O)[O-].CCCCC(CCCC)(CCCC)C(=O)[O-].[Pd+2].[SnH+3].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of pentakis(2,2-dibutylhexanoate);palladium(2+);tin(3+) monohydride;tetrakis(triphenylphosphane)?
The InChIKey is IWOKKUSJZOTEBC-UHFFFAOYSA-I. The full InChI is InChI=1S/4C18H15P.5C14H28O2.Pd.Sn.H/c4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;5*1-4-7-10-14(13(15)16,11-8-5-2)12-9-6-3;;;/h4*1-15H;5*4-12H2,1-3H3,(H,15,16);;;/q;;;;;;;;;+2;+3;/p-5.
What are the key properties of pentakis(2,2-dibutylhexanoate);palladium(2+);tin(3+) monohydride;tetrakis(triphenylphosphane)?
pentakis(2,2-dibutylhexanoate);palladium(2+);tin(3+) monohydride;tetrakis(triphenylphosphane) has a molecular weight of 2412.15 g/mol, XLogP of 29.59, 62 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for pentakis(2,2-dibutylhexanoate);palladium(2+);tin(3+) monohydride;tetrakis(triphenylphosphane) is sourced from PubChem (CID 173323702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).