(Z)-4-hydroxypent-3-en-2-one;(E)-4-hydroxypent-3-en-2-one;zinc;dihydrate

C10H20O6Zn — CID 164687665

IUPAC(Z)-4-hydroxypent-3-en-2-one;(E)-4-hydroxypent-3-en-2-one;zinc;dihydrate
SMILESCC(=O)/C=C(/C)O.CC(=O)/C=C(\C)O.O.O.[Zn]
InChIInChI=1S/2C5H8O2.2H2O.Zn/c2*1-4(6)3-5(2)7;;;/h2*3,6H,1-2H3;2*1H2;/b4-3+;4-3-;;;
InChIKeyPHVQMFVFLHGOLD-UZUXQKAQSA-N
MW301.65 g/mol
LogP0.42
Rot. Bonds2

About (Z)-4-hydroxypent-3-en-2-one;(E)-4-hydroxypent-3-en-2-one;zinc;dihydrate

(Z)-4-hydroxypent-3-en-2-one;(E)-4-hydroxypent-3-en-2-one;zinc;dihydrate (PubChem CID 164687665) has the molecular formula C10H20O6Zn and a molecular weight of 301.65 g/mol. Its IUPAC name is (Z)-4-hydroxypent-3-en-2-one;(E)-4-hydroxypent-3-en-2-one;zinc;dihydrate.

Molecular Properties

Compound Name(Z)-4-hydroxypent-3-en-2-one;(E)-4-hydroxypent-3-en-2-one;zinc;dihydrate
PubChem CID164687665
Molecular FormulaC10H20O6Zn
Molecular Weight301.65 g/mol
Exact Mass300.06
IUPAC Name(Z)-4-hydroxypent-3-en-2-one;(E)-4-hydroxypent-3-en-2-one;zinc;dihydrate
SMILESCC(=O)/C=C(/C)O.CC(=O)/C=C(\C)O.O.O.[Zn]
InChIInChI=1S/2C5H8O2.2H2O.Zn/c2*1-4(6)3-5(2)7;;;/h2*3,6H,1-2H3;2*1H2;/b4-3+;4-3-;;;
InChIKeyPHVQMFVFLHGOLD-UZUXQKAQSA-N
XLogP0.42
TPSA137.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.65
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tris(4-hydroxypent-3-en-2-one);thulium;hydrate
CID 146157253
copper;(Z)-4-hydroxypent-3-en-2-one;hydrate
CID 87530564
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
tris((Z)-4-hydroxypent-3-en-2-one);ruthenium
CID 5364023
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
CID 10892468
CID 10892468

Frequently Asked Questions

What is the IUPAC name of (Z)-4-hydroxypent-3-en-2-one;(E)-4-hydroxypent-3-en-2-one;zinc;dihydrate?
The IUPAC name of (Z)-4-hydroxypent-3-en-2-one;(E)-4-hydroxypent-3-en-2-one;zinc;dihydrate (CID 164687665) is (Z)-4-hydroxypent-3-en-2-one;(E)-4-hydroxypent-3-en-2-one;zinc;dihydrate.
What is the SMILES notation for (Z)-4-hydroxypent-3-en-2-one;(E)-4-hydroxypent-3-en-2-one;zinc;dihydrate?
The canonical SMILES for (Z)-4-hydroxypent-3-en-2-one;(E)-4-hydroxypent-3-en-2-one;zinc;dihydrate is CC(=O)/C=C(/C)O.CC(=O)/C=C(\C)O.O.O.[Zn].
What is the InChIKey of (Z)-4-hydroxypent-3-en-2-one;(E)-4-hydroxypent-3-en-2-one;zinc;dihydrate?
The InChIKey is PHVQMFVFLHGOLD-UZUXQKAQSA-N. The full InChI is InChI=1S/2C5H8O2.2H2O.Zn/c2*1-4(6)3-5(2)7;;;/h2*3,6H,1-2H3;2*1H2;/b4-3+;4-3-;;;.
What are the key properties of (Z)-4-hydroxypent-3-en-2-one;(E)-4-hydroxypent-3-en-2-one;zinc;dihydrate?
(Z)-4-hydroxypent-3-en-2-one;(E)-4-hydroxypent-3-en-2-one;zinc;dihydrate has a molecular weight of 301.65 g/mol, XLogP of 0.42, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-hydroxypent-3-en-2-one;(E)-4-hydroxypent-3-en-2-one;zinc;dihydrate is sourced from PubChem (CID 164687665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).