copper;(Z)-4-hydroxy-3-methylpent-3-en-2-one

C6H10CuO2 — CID 58537801

IUPACcopper;(Z)-4-hydroxy-3-methylpent-3-en-2-one
SMILESCC(=O)/C(C)=C(/C)O.[Cu]
InChIInChI=1S/C6H10O2.Cu/c1-4(5(2)7)6(3)8;/h7H,1-3H3;/b5-4-;
InChIKeyDEJCBBOJWQGWJW-MKWAYWHRSA-N
MW177.69 g/mol
LogP1.42
Rot. Bonds1

About copper;(Z)-4-hydroxy-3-methylpent-3-en-2-one

copper;(Z)-4-hydroxy-3-methylpent-3-en-2-one (PubChem CID 58537801) has the molecular formula C6H10CuO2 and a molecular weight of 177.69 g/mol. Its IUPAC name is copper;(Z)-4-hydroxy-3-methylpent-3-en-2-one.

Molecular Properties

Compound Namecopper;(Z)-4-hydroxy-3-methylpent-3-en-2-one
PubChem CID58537801
Molecular FormulaC6H10CuO2
Molecular Weight177.69 g/mol
Exact Mass177.00
IUPAC Namecopper;(Z)-4-hydroxy-3-methylpent-3-en-2-one
SMILESCC(=O)/C(C)=C(/C)O.[Cu]
InChIInChI=1S/C6H10O2.Cu/c1-4(5(2)7)6(3)8;/h7H,1-3H3;/b5-4-;
InChIKeyDEJCBBOJWQGWJW-MKWAYWHRSA-N
XLogP1.42
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.69
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of copper;(Z)-4-hydroxy-3-methylpent-3-en-2-one?
The IUPAC name of copper;(Z)-4-hydroxy-3-methylpent-3-en-2-one (CID 58537801) is copper;(Z)-4-hydroxy-3-methylpent-3-en-2-one.
What is the SMILES notation for copper;(Z)-4-hydroxy-3-methylpent-3-en-2-one?
The canonical SMILES for copper;(Z)-4-hydroxy-3-methylpent-3-en-2-one is CC(=O)/C(C)=C(/C)O.[Cu].
What is the InChIKey of copper;(Z)-4-hydroxy-3-methylpent-3-en-2-one?
The InChIKey is DEJCBBOJWQGWJW-MKWAYWHRSA-N. The full InChI is InChI=1S/C6H10O2.Cu/c1-4(5(2)7)6(3)8;/h7H,1-3H3;/b5-4-;.
What are the key properties of copper;(Z)-4-hydroxy-3-methylpent-3-en-2-one?
copper;(Z)-4-hydroxy-3-methylpent-3-en-2-one has a molecular weight of 177.69 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for copper;(Z)-4-hydroxy-3-methylpent-3-en-2-one is sourced from PubChem (CID 58537801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).