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

C5H10CuO3 — CID 87530564

IUPACcopper;(Z)-4-hydroxypent-3-en-2-one;hydrate
SMILESCC(=O)/C=C(/C)O.O.[Cu]
InChIInChI=1S/C5H8O2.Cu.H2O/c1-4(6)3-5(2)7;;/h3,6H,1-2H3;;1H2/b4-3-;;
InChIKeyRWGZCLZMCJDHOM-GSBNXNDCSA-N
MW181.68 g/mol
LogP0.21
Rot. Bonds1

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

copper;(Z)-4-hydroxypent-3-en-2-one;hydrate (PubChem CID 87530564) has the molecular formula C5H10CuO3 and a molecular weight of 181.68 g/mol. Its IUPAC name is copper;(Z)-4-hydroxypent-3-en-2-one;hydrate.

Molecular Properties

Compound Namecopper;(Z)-4-hydroxypent-3-en-2-one;hydrate
PubChem CID87530564
Molecular FormulaC5H10CuO3
Molecular Weight181.68 g/mol
Exact Mass180.99
IUPAC Namecopper;(Z)-4-hydroxypent-3-en-2-one;hydrate
SMILESCC(=O)/C=C(/C)O.O.[Cu]
InChIInChI=1S/C5H8O2.Cu.H2O/c1-4(6)3-5(2)7;;/h3,6H,1-2H3;;1H2/b4-3-;;
InChIKeyRWGZCLZMCJDHOM-GSBNXNDCSA-N
XLogP0.21
TPSA68.80 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.68
LogP ≤ 50.21
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

(Z)-4-hydroxypent-3-en-2-one;(E)-4-hydroxypent-3-en-2-one;zinc;dihydrate
CID 164687665
tris(4-hydroxypent-3-en-2-one);thulium;hydrate
CID 146157253
tris((Z)-4-hydroxypent-3-en-2-one);terbium;hydrate
CID 22836474
pentakis((Z)-4-hydroxypent-3-en-2-one);(E)-4-hydroxypent-3-en-2-one;iron
CID 176885193
4-hydroxypent-3-en-2-one;titanium
CID 162678859
hafnium;tetrakis((E)-4-hydroxypent-3-en-2-one)
CID 53393529
tris(4-hydroxypent-3-en-2-one);thulium
CID 175647568
hafnium;tetrakis((Z)-4-hydroxypent-3-en-2-one)
CID 11330624
cobalt;tris((E)-4-hydroxypent-3-en-2-one)
CID 11100361
bis((Z)-4-hydroxypent-3-en-2-one);rhodium
CID 11358512
tris((Z)-4-hydroxypent-3-en-2-one);ruthenium
CID 5364023
CID 10892468
CID 10892468

Frequently Asked Questions

What is the IUPAC name of copper;(Z)-4-hydroxypent-3-en-2-one;hydrate?
The IUPAC name of copper;(Z)-4-hydroxypent-3-en-2-one;hydrate (CID 87530564) is copper;(Z)-4-hydroxypent-3-en-2-one;hydrate.
What is the SMILES notation for copper;(Z)-4-hydroxypent-3-en-2-one;hydrate?
The canonical SMILES for copper;(Z)-4-hydroxypent-3-en-2-one;hydrate is CC(=O)/C=C(/C)O.O.[Cu].
What is the InChIKey of copper;(Z)-4-hydroxypent-3-en-2-one;hydrate?
The InChIKey is RWGZCLZMCJDHOM-GSBNXNDCSA-N. The full InChI is InChI=1S/C5H8O2.Cu.H2O/c1-4(6)3-5(2)7;;/h3,6H,1-2H3;;1H2/b4-3-;;.
What are the key properties of copper;(Z)-4-hydroxypent-3-en-2-one;hydrate?
copper;(Z)-4-hydroxypent-3-en-2-one;hydrate has a molecular weight of 181.68 g/mol, XLogP of 0.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for copper;(Z)-4-hydroxypent-3-en-2-one;hydrate is sourced from PubChem (CID 87530564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).