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

C10H16NiO4 — CID 5359853

IUPACbis((Z)-4-hydroxypent-3-en-2-one);nickel
SMILESCC(=O)/C=C(/C)O.CC(=O)/C=C(/C)O.[Ni]
InChIInChI=1S/2C5H8O2.Ni/c2*1-4(6)3-5(2)7;/h2*3,6H,1-2H3;/b2*4-3-;
InChIKeySHWZFQPXYGHRKT-FDGPNNRMSA-N
MW258.93 g/mol
LogP2.07
Rot. Bonds2

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

bis((Z)-4-hydroxypent-3-en-2-one);nickel (PubChem CID 5359853) has the molecular formula C10H16NiO4 and a molecular weight of 258.93 g/mol. Its IUPAC name is bis((Z)-4-hydroxypent-3-en-2-one);nickel.

Molecular Properties

Compound Namebis((Z)-4-hydroxypent-3-en-2-one);nickel
PubChem CID5359853
Molecular FormulaC10H16NiO4
Molecular Weight258.93 g/mol
Exact Mass258.04
IUPAC Namebis((Z)-4-hydroxypent-3-en-2-one);nickel
SMILESCC(=O)/C=C(/C)O.CC(=O)/C=C(/C)O.[Ni]
InChIInChI=1S/2C5H8O2.Ni/c2*1-4(6)3-5(2)7;/h2*3,6H,1-2H3;/b2*4-3-;
InChIKeySHWZFQPXYGHRKT-FDGPNNRMSA-N
XLogP2.07
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.93
LogP ≤ 52.07
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

pentakis((Z)-4-hydroxypent-3-en-2-one);(E)-4-hydroxypent-3-en-2-one;iron
CID 176885193
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
tris((Z)-4-hydroxypent-3-en-2-one);ruthenium
CID 5364023
cobalt;tris((E)-4-hydroxypent-3-en-2-one)
CID 11100361
bis((Z)-4-hydroxypent-3-en-2-one);rhodium
CID 11358512
CID 6826582
CID 6826582
CID 10892468
CID 10892468
4-hydroxypent-3-en-2-one;titanium
CID 162678859
tris((Z)-4-hydroxypent-3-en-2-one);manganese(3+)
CID 6477710
tris((Z)-4-hydroxypent-3-en-2-one);thulium
CID 131701275

Frequently Asked Questions

What is the IUPAC name of bis((Z)-4-hydroxypent-3-en-2-one);nickel?
The IUPAC name of bis((Z)-4-hydroxypent-3-en-2-one);nickel (CID 5359853) is bis((Z)-4-hydroxypent-3-en-2-one);nickel.
What is the SMILES notation for bis((Z)-4-hydroxypent-3-en-2-one);nickel?
The canonical SMILES for bis((Z)-4-hydroxypent-3-en-2-one);nickel is CC(=O)/C=C(/C)O.CC(=O)/C=C(/C)O.[Ni].
What is the InChIKey of bis((Z)-4-hydroxypent-3-en-2-one);nickel?
The InChIKey is SHWZFQPXYGHRKT-FDGPNNRMSA-N. The full InChI is InChI=1S/2C5H8O2.Ni/c2*1-4(6)3-5(2)7;/h2*3,6H,1-2H3;/b2*4-3-;.
What are the key properties of bis((Z)-4-hydroxypent-3-en-2-one);nickel?
bis((Z)-4-hydroxypent-3-en-2-one);nickel has a molecular weight of 258.93 g/mol, XLogP of 2.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis((Z)-4-hydroxypent-3-en-2-one);nickel is sourced from PubChem (CID 5359853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).