carbanide;bis(cyclopentyl(dimethyl)phosphane);(2E,5E)-hepta-2,5-dien-4-one;iron(2+);methane;palladium(2+)

C26H56FeOP2Pd — CID 162270610

IUPACcarbanide;bis(cyclopentyl(dimethyl)phosphane);(2E,5E)-hepta-2,5-dien-4-one;iron(2+);methane;palladium(2+)
SMILESC.C/C=C/C(=O)/C=C/C.CP(C)C1CCCC1.CP(C)C1CCCC1.[CH3-].[CH3-].[CH3-].[CH3-].[Fe+2].[Pd+2]
InChIInChI=1S/C7H10O.2C7H15P.CH4.4CH3.Fe.Pd/c1-3-5-7(8)6-4-2;2*1-8(2)7-5-3-4-6-7;;;;;;;/h3-6H,1-2H3;2*7H,3-6H2,1-2H3;1H4;4*1H3;;/q;;;;4*-1;2*+2/b5-3+,6-4+;;;;;;;;;
InChIKeyAPZJERLUJKKJRO-ZKBONLTOSA-N
MW608.95 g/mol
LogP9.48
Rot. Bonds4

About carbanide;bis(cyclopentyl(dimethyl)phosphane);(2E,5E)-hepta-2,5-dien-4-one;iron(2+);methane;palladium(2+)

carbanide;bis(cyclopentyl(dimethyl)phosphane);(2E,5E)-hepta-2,5-dien-4-one;iron(2+);methane;palladium(2+) (PubChem CID 162270610) has the molecular formula C26H56FeOP2Pd and a molecular weight of 608.95 g/mol. Its IUPAC name is carbanide;bis(cyclopentyl(dimethyl)phosphane);(2E,5E)-hepta-2,5-dien-4-one;iron(2+);methane;palladium(2+).

Molecular Properties

Compound Namecarbanide;bis(cyclopentyl(dimethyl)phosphane);(2E,5E)-hepta-2,5-dien-4-one;iron(2+);methane;palladium(2+)
PubChem CID162270610
Molecular FormulaC26H56FeOP2Pd
Molecular Weight608.95 g/mol
Exact Mass608.22
IUPAC Namecarbanide;bis(cyclopentyl(dimethyl)phosphane);(2E,5E)-hepta-2,5-dien-4-one;iron(2+);methane;palladium(2+)
SMILESC.C/C=C/C(=O)/C=C/C.CP(C)C1CCCC1.CP(C)C1CCCC1.[CH3-].[CH3-].[CH3-].[CH3-].[Fe+2].[Pd+2]
InChIInChI=1S/C7H10O.2C7H15P.CH4.4CH3.Fe.Pd/c1-3-5-7(8)6-4-2;2*1-8(2)7-5-3-4-6-7;;;;;;;/h3-6H,1-2H3;2*7H,3-6H2,1-2H3;1H4;4*1H3;;/q;;;;4*-1;2*+2/b5-3+,6-4+;;;;;;;;;
InChIKeyAPZJERLUJKKJRO-ZKBONLTOSA-N
XLogP9.48
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.95
LogP ≤ 59.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

hepta-2,5-dien-4-one
CID 54179619
palladium(2+);bis(tricyclohexylphosphane);diacetate
CID 11983532
N-cyclohexyl-N-methylbut-2-enamide
CID 78907896
2-methylbut-2-ene;tricyclohexylphosphane
CID 174792774
(1Z,4Z)-1-aminohexa-1,4-dien-3-one
CID 143438957
4-oxohepta-2,5-dienoic acid
CID 54093333
1-(2-methylpiperidin-1-yl)but-2-en-1-one
CID 78907190
(2-methylcyclohexyl) (E)-but-2-enoate
CID 130359128
methyl (E)-3-dicyclohexylphosphanylprop-2-enoate
CID 101442082
(E)-but-2-ene;palladium(2+);tricyclohexylphosphane;trifluoromethanesulfonate
CID 22335882
(E)-N-[(1S)-1-cyclohexylethyl]but-2-enamide
CID 81384583
1-(azonan-1-yl)but-2-en-1-one
CID 174056806

Frequently Asked Questions

What is the IUPAC name of carbanide;bis(cyclopentyl(dimethyl)phosphane);(2E,5E)-hepta-2,5-dien-4-one;iron(2+);methane;palladium(2+)?
The IUPAC name of carbanide;bis(cyclopentyl(dimethyl)phosphane);(2E,5E)-hepta-2,5-dien-4-one;iron(2+);methane;palladium(2+) (CID 162270610) is carbanide;bis(cyclopentyl(dimethyl)phosphane);(2E,5E)-hepta-2,5-dien-4-one;iron(2+);methane;palladium(2+).
What is the SMILES notation for carbanide;bis(cyclopentyl(dimethyl)phosphane);(2E,5E)-hepta-2,5-dien-4-one;iron(2+);methane;palladium(2+)?
The canonical SMILES for carbanide;bis(cyclopentyl(dimethyl)phosphane);(2E,5E)-hepta-2,5-dien-4-one;iron(2+);methane;palladium(2+) is C.C/C=C/C(=O)/C=C/C.CP(C)C1CCCC1.CP(C)C1CCCC1.[CH3-].[CH3-].[CH3-].[CH3-].[Fe+2].[Pd+2].
What is the InChIKey of carbanide;bis(cyclopentyl(dimethyl)phosphane);(2E,5E)-hepta-2,5-dien-4-one;iron(2+);methane;palladium(2+)?
The InChIKey is APZJERLUJKKJRO-ZKBONLTOSA-N. The full InChI is InChI=1S/C7H10O.2C7H15P.CH4.4CH3.Fe.Pd/c1-3-5-7(8)6-4-2;2*1-8(2)7-5-3-4-6-7;;;;;;;/h3-6H,1-2H3;2*7H,3-6H2,1-2H3;1H4;4*1H3;;/q;;;;4*-1;2*+2/b5-3+,6-4+;;;;;;;;;.
What are the key properties of carbanide;bis(cyclopentyl(dimethyl)phosphane);(2E,5E)-hepta-2,5-dien-4-one;iron(2+);methane;palladium(2+)?
carbanide;bis(cyclopentyl(dimethyl)phosphane);(2E,5E)-hepta-2,5-dien-4-one;iron(2+);methane;palladium(2+) has a molecular weight of 608.95 g/mol, XLogP of 9.48, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;bis(cyclopentyl(dimethyl)phosphane);(2E,5E)-hepta-2,5-dien-4-one;iron(2+);methane;palladium(2+) is sourced from PubChem (CID 162270610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).