ethane;ethanone;palladium

C10H17O4Pd-5 — CID 88825690

IUPACethane;ethanone;palladium
SMILESC[C-]=O.C[C-]=O.C[C-]=O.C[C-]=O.[CH2-]C.[Pd]
InChIInChI=1S/4C2H3O.C2H5.Pd/c4*1-2-3;1-2;/h4*1H3;1H2,2H3;/q5*-1;
InChIKeyLKMWXPUHQDNBNB-UHFFFAOYSA-N
MW307.66 g/mol
LogP1.30
Rot. Bonds

About ethane;ethanone;palladium

ethane;ethanone;palladium (PubChem CID 88825690) has the molecular formula C10H17O4Pd-5 and a molecular weight of 307.66 g/mol. Its IUPAC name is ethane;ethanone;palladium.

Molecular Properties

Compound Nameethane;ethanone;palladium
PubChem CID88825690
Molecular FormulaC10H17O4Pd-5
Molecular Weight307.66 g/mol
Exact Mass307.02
IUPAC Nameethane;ethanone;palladium
SMILESC[C-]=O.C[C-]=O.C[C-]=O.C[C-]=O.[CH2-]C.[Pd]
InChIInChI=1S/4C2H3O.C2H5.Pd/c4*1-2-3;1-2;/h4*1H3;1H2,2H3;/q5*-1;
InChIKeyLKMWXPUHQDNBNB-UHFFFAOYSA-N
XLogP1.30
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.66
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;ethanone;palladium?
The IUPAC name of ethane;ethanone;palladium (CID 88825690) is ethane;ethanone;palladium.
What is the SMILES notation for ethane;ethanone;palladium?
The canonical SMILES for ethane;ethanone;palladium is C[C-]=O.C[C-]=O.C[C-]=O.C[C-]=O.[CH2-]C.[Pd].
What is the InChIKey of ethane;ethanone;palladium?
The InChIKey is LKMWXPUHQDNBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/4C2H3O.C2H5.Pd/c4*1-2-3;1-2;/h4*1H3;1H2,2H3;/q5*-1;.
What are the key properties of ethane;ethanone;palladium?
ethane;ethanone;palladium has a molecular weight of 307.66 g/mol, XLogP of 1.30, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethanone;palladium is sourced from PubChem (CID 88825690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).