copper;bis([(E)-2-hydroxy-4-oxopent-2-en-3-yl] acetate)

C14H20CuO8 — CID 5363727

IUPACcopper;bis([(E)-2-hydroxy-4-oxopent-2-en-3-yl] acetate)
SMILESCC(=O)O/C(C(C)=O)=C(\C)O.CC(=O)O/C(C(C)=O)=C(\C)O.[Cu]
InChIInChI=1S/2C7H10O4.Cu/c2*1-4(8)7(5(2)9)11-6(3)10;/h2*8H,1-3H3;/b2*7-4+;
InChIKeySBFQRZDUKORJOI-ISBQNHGHSA-N
MW379.85 g/mol
LogP1.85
Rot. Bonds4

About copper;bis([(E)-2-hydroxy-4-oxopent-2-en-3-yl] acetate)

copper;bis([(E)-2-hydroxy-4-oxopent-2-en-3-yl] acetate) (PubChem CID 5363727) has the molecular formula C14H20CuO8 and a molecular weight of 379.85 g/mol. Its IUPAC name is copper;bis([(E)-2-hydroxy-4-oxopent-2-en-3-yl] acetate).

Molecular Properties

Compound Namecopper;bis([(E)-2-hydroxy-4-oxopent-2-en-3-yl] acetate)
PubChem CID5363727
Molecular FormulaC14H20CuO8
Molecular Weight379.85 g/mol
Exact Mass379.05
IUPAC Namecopper;bis([(E)-2-hydroxy-4-oxopent-2-en-3-yl] acetate)
SMILESCC(=O)O/C(C(C)=O)=C(\C)O.CC(=O)O/C(C(C)=O)=C(\C)O.[Cu]
InChIInChI=1S/2C7H10O4.Cu/c2*1-4(8)7(5(2)9)11-6(3)10;/h2*8H,1-3H3;/b2*7-4+;
InChIKeySBFQRZDUKORJOI-ISBQNHGHSA-N
XLogP1.85
TPSA127.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.85
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

acetyl acetate;2-oxopropanoic acid;vanadium
CID 174449179
azane;carboxy acetate;copper
CID 175513331
(2-hydroxy-4-oxopent-2-en-3-yl) benzoate
CID 70385266
acetyl acetate;hydrochloride
CID 87138027
acetyl acetate;chromium(2+)
CID 19978523
CID 160689228
CID 160689228
dimethyl 2,3-diacetyloxybut-2-enedioate
CID 8545
aluminum;acetyl acetate;trichloride
CID 86584360
acetyl acetate;carbanide;gold
CID 87857087
dicalcium;acetyl acetate;hydride
CID 174404063
acetyl acetate;zinc;dihydrate
CID 174593639
disodium;carboxy acetate;hydride
CID 173364721

Frequently Asked Questions

What is the IUPAC name of copper;bis([(E)-2-hydroxy-4-oxopent-2-en-3-yl] acetate)?
The IUPAC name of copper;bis([(E)-2-hydroxy-4-oxopent-2-en-3-yl] acetate) (CID 5363727) is copper;bis([(E)-2-hydroxy-4-oxopent-2-en-3-yl] acetate).
What is the SMILES notation for copper;bis([(E)-2-hydroxy-4-oxopent-2-en-3-yl] acetate)?
The canonical SMILES for copper;bis([(E)-2-hydroxy-4-oxopent-2-en-3-yl] acetate) is CC(=O)O/C(C(C)=O)=C(\C)O.CC(=O)O/C(C(C)=O)=C(\C)O.[Cu].
What is the InChIKey of copper;bis([(E)-2-hydroxy-4-oxopent-2-en-3-yl] acetate)?
The InChIKey is SBFQRZDUKORJOI-ISBQNHGHSA-N. The full InChI is InChI=1S/2C7H10O4.Cu/c2*1-4(8)7(5(2)9)11-6(3)10;/h2*8H,1-3H3;/b2*7-4+;.
What are the key properties of copper;bis([(E)-2-hydroxy-4-oxopent-2-en-3-yl] acetate)?
copper;bis([(E)-2-hydroxy-4-oxopent-2-en-3-yl] acetate) has a molecular weight of 379.85 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for copper;bis([(E)-2-hydroxy-4-oxopent-2-en-3-yl] acetate) is sourced from PubChem (CID 5363727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).