tris((Z)-4-hydroxypent-3-en-2-one);ruthenium

C15H24O6Ru — CID 5364023

IUPACtris((Z)-4-hydroxypent-3-en-2-one);ruthenium
SMILESCC(=O)/C=C(/C)O.CC(=O)/C=C(/C)O.CC(=O)/C=C(/C)O.[Ru]
InChIInChI=1S/3C5H8O2.Ru/c3*1-4(6)3-5(2)7;/h3*3,6H,1-2H3;/b3*4-3-;
InChIKeyIYWJIYWFPADQAN-LNTINUHCSA-N
MW401.42 g/mol
LogP3.11
Rot. Bonds3

About tris((Z)-4-hydroxypent-3-en-2-one);ruthenium

tris((Z)-4-hydroxypent-3-en-2-one);ruthenium (PubChem CID 5364023) has the molecular formula C15H24O6Ru and a molecular weight of 401.42 g/mol. Its IUPAC name is tris((Z)-4-hydroxypent-3-en-2-one);ruthenium.

Molecular Properties

Compound Nametris((Z)-4-hydroxypent-3-en-2-one);ruthenium
PubChem CID5364023
Molecular FormulaC15H24O6Ru
Molecular Weight401.42 g/mol
Exact Mass402.06
IUPAC Nametris((Z)-4-hydroxypent-3-en-2-one);ruthenium
SMILESCC(=O)/C=C(/C)O.CC(=O)/C=C(/C)O.CC(=O)/C=C(/C)O.[Ru]
InChIInChI=1S/3C5H8O2.Ru/c3*1-4(6)3-5(2)7;/h3*3,6H,1-2H3;/b3*4-3-;
InChIKeyIYWJIYWFPADQAN-LNTINUHCSA-N
XLogP3.11
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.42
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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
tris(4-hydroxypent-3-en-2-one);thulium
CID 175647568
hafnium;tetrakis((E)-4-hydroxypent-3-en-2-one)
CID 53393529
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 6826582
CID 6826582
CID 10892468
CID 10892468
4-hydroxypent-3-en-2-one;titanium
CID 162678859
bis((Z)-4-hydroxypent-3-en-2-one);nickel
CID 5359853
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 tris((Z)-4-hydroxypent-3-en-2-one);ruthenium?
The IUPAC name of tris((Z)-4-hydroxypent-3-en-2-one);ruthenium (CID 5364023) is tris((Z)-4-hydroxypent-3-en-2-one);ruthenium.
What is the SMILES notation for tris((Z)-4-hydroxypent-3-en-2-one);ruthenium?
The canonical SMILES for tris((Z)-4-hydroxypent-3-en-2-one);ruthenium is CC(=O)/C=C(/C)O.CC(=O)/C=C(/C)O.CC(=O)/C=C(/C)O.[Ru].
What is the InChIKey of tris((Z)-4-hydroxypent-3-en-2-one);ruthenium?
The InChIKey is IYWJIYWFPADQAN-LNTINUHCSA-N. The full InChI is InChI=1S/3C5H8O2.Ru/c3*1-4(6)3-5(2)7;/h3*3,6H,1-2H3;/b3*4-3-;.
What are the key properties of tris((Z)-4-hydroxypent-3-en-2-one);ruthenium?
tris((Z)-4-hydroxypent-3-en-2-one);ruthenium has a molecular weight of 401.42 g/mol, XLogP of 3.11, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tris((Z)-4-hydroxypent-3-en-2-one);ruthenium is sourced from PubChem (CID 5364023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).