bis(1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);4-hydroxy-5,5-dimethylhex-3-en-2-one;tetrakis(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;pentakis(palladium);bis(5,5,5-trifluoro-4-hydroxypent-3-en-2-one);bis(tri(propan-2-yl)phosphanium)

C77H124F18O20P2Pd5+2 — CID 163771066

IUPACbis(1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);4-hydroxy-5,5-dimethylhex-3-en-2-one;tetrakis(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;pentakis(palladium);bis(5,5,5-trifluoro-4-hydroxypent-3-en-2-one);bis(tri(propan-2-yl)phosphanium)
SMILESCC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(O)C(C)(C)C.CC(=O)C=C(O)C(F)(F)F.CC(=O)C=C(O)C(F)(F)F.CC(C)(C)C(=O)C=C(O)C(C)(C)C.CC(C)[PH+](C(C)C)C(C)C.CC(C)[PH+](C(C)C)C(C)C.O=C(C=C(O)C(F)(F)F)C(F)(F)F.O=C(C=C(O)C(F)(F)F)C(F)(F)F.[Pd].[Pd].[Pd].[Pd].[Pd]
InChIInChI=1S/C11H20O2.2C9H21P.C8H14O2.2C5H2F6O2.2C5H5F3O2.4C5H8O2.5Pd/c1-10(2,3)8(12)7-9(13)11(4,5)6;2*1-7(2)10(8(3)4)9(5)6;1-6(9)5-7(10)8(2,3)4;2*6-4(7,8)2(12)1-3(13)5(9,10)11;2*1-3(9)2-4(10)5(6,7)8;4*1-4(6)3-5(2)7;;;;;/h7,12H,1-6H3;2*7-9H,1-6H3;5,10H,1-4H3;2*1,12H;2*2,10H,1H3;4*3,6H,1-2H3;;;;;/p+2
InChIKeyBBQOLWFKCFGPPY-UHFFFAOYSA-P
MW2305.83 g/mol
LogP23.54
Rot. Bonds16

About bis(1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);4-hydroxy-5,5-dimethylhex-3-en-2-one;tetrakis(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;pentakis(palladium);bis(5,5,5-trifluoro-4-hydroxypent-3-en-2-one);bis(tri(propan-2-yl)phosphanium)

bis(1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);4-hydroxy-5,5-dimethylhex-3-en-2-one;tetrakis(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;pentakis(palladium);bis(5,5,5-trifluoro-4-hydroxypent-3-en-2-one);bis(tri(propan-2-yl)phosphanium) (PubChem CID 163771066) has the molecular formula C77H124F18O20P2Pd5+2 and a molecular weight of 2305.83 g/mol. Its IUPAC name is bis(1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);4-hydroxy-5,5-dimethylhex-3-en-2-one;tetrakis(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;pentakis(palladium);bis(5,5,5-trifluoro-4-hydroxypent-3-en-2-one);bis(tri(propan-2-yl)phosphanium).

Molecular Properties

Compound Namebis(1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);4-hydroxy-5,5-dimethylhex-3-en-2-one;tetrakis(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;pentakis(palladium);bis(5,5,5-trifluoro-4-hydroxypent-3-en-2-one);bis(tri(propan-2-yl)phosphanium)
PubChem CID163771066
Molecular FormulaC77H124F18O20P2Pd5+2
Molecular Weight2305.83 g/mol
Exact Mass2302.30
IUPAC Namebis(1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);4-hydroxy-5,5-dimethylhex-3-en-2-one;tetrakis(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;pentakis(palladium);bis(5,5,5-trifluoro-4-hydroxypent-3-en-2-one);bis(tri(propan-2-yl)phosphanium)
SMILESCC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(O)C(C)(C)C.CC(=O)C=C(O)C(F)(F)F.CC(=O)C=C(O)C(F)(F)F.CC(C)(C)C(=O)C=C(O)C(C)(C)C.CC(C)[PH+](C(C)C)C(C)C.CC(C)[PH+](C(C)C)C(C)C.O=C(C=C(O)C(F)(F)F)C(F)(F)F.O=C(C=C(O)C(F)(F)F)C(F)(F)F.[Pd].[Pd].[Pd].[Pd].[Pd]
InChIInChI=1S/C11H20O2.2C9H21P.C8H14O2.2C5H2F6O2.2C5H5F3O2.4C5H8O2.5Pd/c1-10(2,3)8(12)7-9(13)11(4,5)6;2*1-7(2)10(8(3)4)9(5)6;1-6(9)5-7(10)8(2,3)4;2*6-4(7,8)2(12)1-3(13)5(9,10)11;2*1-3(9)2-4(10)5(6,7)8;4*1-4(6)3-5(2)7;;;;;/h7,12H,1-6H3;2*7-9H,1-6H3;5,10H,1-4H3;2*1,12H;2*2,10H,1H3;4*3,6H,1-2H3;;;;;/p+2
InChIKeyBBQOLWFKCFGPPY-UHFFFAOYSA-P
XLogP23.54
TPSA373.00 Ų
H-Bond Donors10
H-Bond Acceptors20
Rotatable Bonds16
Heavy Atoms122
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002305.83
LogP ≤ 523.54
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze bis(1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);4-hydroxy-5,5-dimethylhex-3-en-2-one;tetrakis(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;pentakis(palladium);bis(5,5,5-trifluoro-4-hydroxypent-3-en-2-one);bis(tri(propan-2-yl)phosphanium) with MolForge

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Related Compounds

bis((Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);palladium;tri(propan-2-yl)phosphanium
CID 162495192
iron;(Z)-5,5,5-trifluoro-4-hydroxypent-3-en-2-one;bis((E)-5,5,5-trifluoro-4-hydroxypent-3-en-2-one)
CID 159919059
cerium;(Z)-6,6,6-trifluoro-5-hydroxy-2,2-dimethylhex-4-en-3-one
CID 156648922
bis(iron(3+));tris(5,5,5-trifluoro-4-hydroxypent-3-en-2-one)
CID 170920124
cerium;tetrakis(5,5,5-trifluoro-4-hydroxypent-3-en-2-one)
CID 155886786
copper;(Z)-5,5,5-trifluoro-4-hydroxypent-3-en-2-one
CID 58773962
cobalt;bis((Z)-5,5,5-trifluoro-4-hydroxypent-3-en-2-one);hydrate
CID 54669728
copper;bis((E)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one)
CID 53393500
chromium;tris(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one)
CID 5148179
tris((E)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);terbium
CID 71311421
tris(1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);iron(3+)
CID 159734107
tris((Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);praseodymium
CID 6174066

Frequently Asked Questions

What is the IUPAC name of bis(1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);4-hydroxy-5,5-dimethylhex-3-en-2-one;tetrakis(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;pentakis(palladium);bis(5,5,5-trifluoro-4-hydroxypent-3-en-2-one);bis(tri(propan-2-yl)phosphanium)?
The IUPAC name of bis(1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);4-hydroxy-5,5-dimethylhex-3-en-2-one;tetrakis(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;pentakis(palladium);bis(5,5,5-trifluoro-4-hydroxypent-3-en-2-one);bis(tri(propan-2-yl)phosphanium) (CID 163771066) is bis(1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);4-hydroxy-5,5-dimethylhex-3-en-2-one;tetrakis(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;pentakis(palladium);bis(5,5,5-trifluoro-4-hydroxypent-3-en-2-one);bis(tri(propan-2-yl)phosphanium).
What is the SMILES notation for bis(1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);4-hydroxy-5,5-dimethylhex-3-en-2-one;tetrakis(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;pentakis(palladium);bis(5,5,5-trifluoro-4-hydroxypent-3-en-2-one);bis(tri(propan-2-yl)phosphanium)?
The canonical SMILES for bis(1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);4-hydroxy-5,5-dimethylhex-3-en-2-one;tetrakis(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;pentakis(palladium);bis(5,5,5-trifluoro-4-hydroxypent-3-en-2-one);bis(tri(propan-2-yl)phosphanium) is CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(O)C(C)(C)C.CC(=O)C=C(O)C(F)(F)F.CC(=O)C=C(O)C(F)(F)F.CC(C)(C)C(=O)C=C(O)C(C)(C)C.CC(C)[PH+](C(C)C)C(C)C.CC(C)[PH+](C(C)C)C(C)C.O=C(C=C(O)C(F)(F)F)C(F)(F)F.O=C(C=C(O)C(F)(F)F)C(F)(F)F.[Pd].[Pd].[Pd].[Pd].[Pd].
What is the InChIKey of bis(1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);4-hydroxy-5,5-dimethylhex-3-en-2-one;tetrakis(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;pentakis(palladium);bis(5,5,5-trifluoro-4-hydroxypent-3-en-2-one);bis(tri(propan-2-yl)phosphanium)?
The InChIKey is BBQOLWFKCFGPPY-UHFFFAOYSA-P. The full InChI is InChI=1S/C11H20O2.2C9H21P.C8H14O2.2C5H2F6O2.2C5H5F3O2.4C5H8O2.5Pd/c1-10(2,3)8(12)7-9(13)11(4,5)6;2*1-7(2)10(8(3)4)9(5)6;1-6(9)5-7(10)8(2,3)4;2*6-4(7,8)2(12)1-3(13)5(9,10)11;2*1-3(9)2-4(10)5(6,7)8;4*1-4(6)3-5(2)7;;;;;/h7,12H,1-6H3;2*7-9H,1-6H3;5,10H,1-4H3;2*1,12H;2*2,10H,1H3;4*3,6H,1-2H3;;;;;/p+2.
What are the key properties of bis(1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);4-hydroxy-5,5-dimethylhex-3-en-2-one;tetrakis(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;pentakis(palladium);bis(5,5,5-trifluoro-4-hydroxypent-3-en-2-one);bis(tri(propan-2-yl)phosphanium)?
bis(1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);4-hydroxy-5,5-dimethylhex-3-en-2-one;tetrakis(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;pentakis(palladium);bis(5,5,5-trifluoro-4-hydroxypent-3-en-2-one);bis(tri(propan-2-yl)phosphanium) has a molecular weight of 2305.83 g/mol, XLogP of 23.54, 16 rotatable bonds, 10 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);4-hydroxy-5,5-dimethylhex-3-en-2-one;tetrakis(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;pentakis(palladium);bis(5,5,5-trifluoro-4-hydroxypent-3-en-2-one);bis(tri(propan-2-yl)phosphanium) is sourced from PubChem (CID 163771066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).