palladium;bis(2,3,4,4-tetramethylhept-2-enoic acid)

C22H40O4Pd — CID 165147382

IUPACpalladium;bis(2,3,4,4-tetramethylhept-2-enoic acid)
SMILESCCCC(C)(C)C(C)=C(C)C(=O)O.CCCC(C)(C)C(C)=C(C)C(=O)O.[Pd]
InChIInChI=1S/2C11H20O2.Pd/c2*1-6-7-11(4,5)9(3)8(2)10(12)13;/h2*6-7H2,1-5H3,(H,12,13);
InChIKeyIAPQVDIHHPRPMR-UHFFFAOYSA-N
MW474.98 g/mol
LogP6.46
Rot. Bonds8

About palladium;bis(2,3,4,4-tetramethylhept-2-enoic acid)

palladium;bis(2,3,4,4-tetramethylhept-2-enoic acid) (PubChem CID 165147382) has the molecular formula C22H40O4Pd and a molecular weight of 474.98 g/mol. Its IUPAC name is palladium;bis(2,3,4,4-tetramethylhept-2-enoic acid).

Molecular Properties

Compound Namepalladium;bis(2,3,4,4-tetramethylhept-2-enoic acid)
PubChem CID165147382
Molecular FormulaC22H40O4Pd
Molecular Weight474.98 g/mol
Exact Mass474.20
IUPAC Namepalladium;bis(2,3,4,4-tetramethylhept-2-enoic acid)
SMILESCCCC(C)(C)C(C)=C(C)C(=O)O.CCCC(C)(C)C(C)=C(C)C(=O)O.[Pd]
InChIInChI=1S/2C11H20O2.Pd/c2*1-6-7-11(4,5)9(3)8(2)10(12)13;/h2*6-7H2,1-5H3,(H,12,13);
InChIKeyIAPQVDIHHPRPMR-UHFFFAOYSA-N
XLogP6.46
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.98
LogP ≤ 56.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of palladium;bis(2,3,4,4-tetramethylhept-2-enoic acid)?
The IUPAC name of palladium;bis(2,3,4,4-tetramethylhept-2-enoic acid) (CID 165147382) is palladium;bis(2,3,4,4-tetramethylhept-2-enoic acid).
What is the SMILES notation for palladium;bis(2,3,4,4-tetramethylhept-2-enoic acid)?
The canonical SMILES for palladium;bis(2,3,4,4-tetramethylhept-2-enoic acid) is CCCC(C)(C)C(C)=C(C)C(=O)O.CCCC(C)(C)C(C)=C(C)C(=O)O.[Pd].
What is the InChIKey of palladium;bis(2,3,4,4-tetramethylhept-2-enoic acid)?
The InChIKey is IAPQVDIHHPRPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H20O2.Pd/c2*1-6-7-11(4,5)9(3)8(2)10(12)13;/h2*6-7H2,1-5H3,(H,12,13);.
What are the key properties of palladium;bis(2,3,4,4-tetramethylhept-2-enoic acid)?
palladium;bis(2,3,4,4-tetramethylhept-2-enoic acid) has a molecular weight of 474.98 g/mol, XLogP of 6.46, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for palladium;bis(2,3,4,4-tetramethylhept-2-enoic acid) is sourced from PubChem (CID 165147382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).