copper;bis((Z)-3-ethyl-4-hydroxypent-3-en-2-one)

C14H24CuO4 — CID 5375152

IUPACcopper;bis((Z)-3-ethyl-4-hydroxypent-3-en-2-one)
SMILESCC/C(C(C)=O)=C(\C)O.CC/C(C(C)=O)=C(\C)O.[Cu]
InChIInChI=1S/2C7H12O2.Cu/c2*1-4-7(5(2)8)6(3)9;/h2*8H,4H2,1-3H3;/b2*7-5-;
InChIKeyCAEOACQYIGWFMJ-AGRVASMDSA-N
MW319.89 g/mol
LogP3.63
Rot. Bonds4

About copper;bis((Z)-3-ethyl-4-hydroxypent-3-en-2-one)

copper;bis((Z)-3-ethyl-4-hydroxypent-3-en-2-one) (PubChem CID 5375152) has the molecular formula C14H24CuO4 and a molecular weight of 319.89 g/mol. Its IUPAC name is copper;bis((Z)-3-ethyl-4-hydroxypent-3-en-2-one).

Molecular Properties

Compound Namecopper;bis((Z)-3-ethyl-4-hydroxypent-3-en-2-one)
PubChem CID5375152
Molecular FormulaC14H24CuO4
Molecular Weight319.89 g/mol
Exact Mass319.10
IUPAC Namecopper;bis((Z)-3-ethyl-4-hydroxypent-3-en-2-one)
SMILESCC/C(C(C)=O)=C(\C)O.CC/C(C(C)=O)=C(\C)O.[Cu]
InChIInChI=1S/2C7H12O2.Cu/c2*1-4-7(5(2)8)6(3)9;/h2*8H,4H2,1-3H3;/b2*7-5-;
InChIKeyCAEOACQYIGWFMJ-AGRVASMDSA-N
XLogP3.63
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.89
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 616158
(3E)-3-(1-hydroxyethylidene)-5-methylhexan-2-one
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copper;propanoic acid
CID 5150615
(E)-3-[[4-[(E)-2-acetyl-3-hydroxybut-2-enyl]cyclohexyl]methyl]-4-hydroxypent-3-en-2-one
CID 6993330
ethyl 4-acetyl-5-hydroxyhex-4-enoate
CID 539072
(3Z)-3-(1-hydroxyethylidene)heptan-2-one;(2Z)-2-(1-hydroxyethylidene)hexanoic acid;oxovanadium
CID 54715869
CID 59042175
CID 59042175
copper;propanoic acid;hydrate
CID 87996764
butane-2,3-dione;butan-2-one
CID 158086231
oxovanadium;propanoic acid
CID 174579609
(E)-3-ethyl-2-methyl-4-oxopent-2-enedioic acid
CID 87224687
2-ethyl-3-methylbut-2-enamide
CID 55290055

Frequently Asked Questions

What is the IUPAC name of copper;bis((Z)-3-ethyl-4-hydroxypent-3-en-2-one)?
The IUPAC name of copper;bis((Z)-3-ethyl-4-hydroxypent-3-en-2-one) (CID 5375152) is copper;bis((Z)-3-ethyl-4-hydroxypent-3-en-2-one).
What is the SMILES notation for copper;bis((Z)-3-ethyl-4-hydroxypent-3-en-2-one)?
The canonical SMILES for copper;bis((Z)-3-ethyl-4-hydroxypent-3-en-2-one) is CC/C(C(C)=O)=C(\C)O.CC/C(C(C)=O)=C(\C)O.[Cu].
What is the InChIKey of copper;bis((Z)-3-ethyl-4-hydroxypent-3-en-2-one)?
The InChIKey is CAEOACQYIGWFMJ-AGRVASMDSA-N. The full InChI is InChI=1S/2C7H12O2.Cu/c2*1-4-7(5(2)8)6(3)9;/h2*8H,4H2,1-3H3;/b2*7-5-;.
What are the key properties of copper;bis((Z)-3-ethyl-4-hydroxypent-3-en-2-one)?
copper;bis((Z)-3-ethyl-4-hydroxypent-3-en-2-one) has a molecular weight of 319.89 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for copper;bis((Z)-3-ethyl-4-hydroxypent-3-en-2-one) is sourced from PubChem (CID 5375152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).