(Z)-4-hydroxy-3-propan-2-ylpent-3-en-2-one;1-methyl-2-(2,3,5-trichlorobenzene-6-id-1-yl)imidazole;platinum

C18H20Cl3N2O2Pt- — CID 58401404

IUPAC(Z)-4-hydroxy-3-propan-2-ylpent-3-en-2-one;1-methyl-2-(2,3,5-trichlorobenzene-6-id-1-yl)imidazole;platinum
SMILESCC(=O)/C(=C(/C)O)C(C)C.Cn1ccnc1-c1[c-]c(Cl)cc(Cl)c1Cl.[Pt]
InChIInChI=1S/C10H6Cl3N2.C8H14O2.Pt/c1-15-3-2-14-10(15)7-4-6(11)5-8(12)9(7)13;1-5(2)8(6(3)9)7(4)10;/h2-3,5H,1H3;5,9H,1-4H3;/q-1;;/b;8-6-;
InChIKeyYSPIJVLWWQJTDS-QBUDOIDPSA-N
MW597.81 g/mol
LogP5.91
Rot. Bonds3

About (Z)-4-hydroxy-3-propan-2-ylpent-3-en-2-one;1-methyl-2-(2,3,5-trichlorobenzene-6-id-1-yl)imidazole;platinum

(Z)-4-hydroxy-3-propan-2-ylpent-3-en-2-one;1-methyl-2-(2,3,5-trichlorobenzene-6-id-1-yl)imidazole;platinum (PubChem CID 58401404) has the molecular formula C18H20Cl3N2O2Pt- and a molecular weight of 597.81 g/mol. Its IUPAC name is (Z)-4-hydroxy-3-propan-2-ylpent-3-en-2-one;1-methyl-2-(2,3,5-trichlorobenzene-6-id-1-yl)imidazole;platinum.

Molecular Properties

Compound Name(Z)-4-hydroxy-3-propan-2-ylpent-3-en-2-one;1-methyl-2-(2,3,5-trichlorobenzene-6-id-1-yl)imidazole;platinum
PubChem CID58401404
Molecular FormulaC18H20Cl3N2O2Pt-
Molecular Weight597.81 g/mol
Exact Mass596.02
IUPAC Name(Z)-4-hydroxy-3-propan-2-ylpent-3-en-2-one;1-methyl-2-(2,3,5-trichlorobenzene-6-id-1-yl)imidazole;platinum
SMILESCC(=O)/C(=C(/C)O)C(C)C.Cn1ccnc1-c1[c-]c(Cl)cc(Cl)c1Cl.[Pt]
InChIInChI=1S/C10H6Cl3N2.C8H14O2.Pt/c1-15-3-2-14-10(15)7-4-6(11)5-8(12)9(7)13;1-5(2)8(6(3)9)7(4)10;/h2-3,5H,1H3;5,9H,1-4H3;/q-1;;/b;8-6-;
InChIKeyYSPIJVLWWQJTDS-QBUDOIDPSA-N
XLogP5.91
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500597.81
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-4-hydroxypent-3-en-2-one;iridium;1-methyl-2-phenylimidazole
CID 57596145
(Z)-4-hydroxy-3-methylpent-3-en-2-one;1-methyl-2-phenylimidazole;platinum
CID 58401352
(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;10H-imidazo[2,1-a]isoquinolin-10-ide;iridium
CID 58517439
(Z)-4-hydroxypent-3-en-2-one;10H-imidazo[2,1-a]isoquinolin-10-ide;platinum
CID 58517963
(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;10H-imidazo[2,1-a]isoquinolin-10-ide;platinum
CID 58517971
(Z)-4-hydroxypent-3-en-2-one;10H-imidazo[2,1-a]isoquinolin-10-ide;iridium
CID 58518012

Frequently Asked Questions

What is the IUPAC name of (Z)-4-hydroxy-3-propan-2-ylpent-3-en-2-one;1-methyl-2-(2,3,5-trichlorobenzene-6-id-1-yl)imidazole;platinum?
The IUPAC name of (Z)-4-hydroxy-3-propan-2-ylpent-3-en-2-one;1-methyl-2-(2,3,5-trichlorobenzene-6-id-1-yl)imidazole;platinum (CID 58401404) is (Z)-4-hydroxy-3-propan-2-ylpent-3-en-2-one;1-methyl-2-(2,3,5-trichlorobenzene-6-id-1-yl)imidazole;platinum.
What is the SMILES notation for (Z)-4-hydroxy-3-propan-2-ylpent-3-en-2-one;1-methyl-2-(2,3,5-trichlorobenzene-6-id-1-yl)imidazole;platinum?
The canonical SMILES for (Z)-4-hydroxy-3-propan-2-ylpent-3-en-2-one;1-methyl-2-(2,3,5-trichlorobenzene-6-id-1-yl)imidazole;platinum is CC(=O)/C(=C(/C)O)C(C)C.Cn1ccnc1-c1[c-]c(Cl)cc(Cl)c1Cl.[Pt].
What is the InChIKey of (Z)-4-hydroxy-3-propan-2-ylpent-3-en-2-one;1-methyl-2-(2,3,5-trichlorobenzene-6-id-1-yl)imidazole;platinum?
The InChIKey is YSPIJVLWWQJTDS-QBUDOIDPSA-N. The full InChI is InChI=1S/C10H6Cl3N2.C8H14O2.Pt/c1-15-3-2-14-10(15)7-4-6(11)5-8(12)9(7)13;1-5(2)8(6(3)9)7(4)10;/h2-3,5H,1H3;5,9H,1-4H3;/q-1;;/b;8-6-;.
What are the key properties of (Z)-4-hydroxy-3-propan-2-ylpent-3-en-2-one;1-methyl-2-(2,3,5-trichlorobenzene-6-id-1-yl)imidazole;platinum?
(Z)-4-hydroxy-3-propan-2-ylpent-3-en-2-one;1-methyl-2-(2,3,5-trichlorobenzene-6-id-1-yl)imidazole;platinum has a molecular weight of 597.81 g/mol, XLogP of 5.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-hydroxy-3-propan-2-ylpent-3-en-2-one;1-methyl-2-(2,3,5-trichlorobenzene-6-id-1-yl)imidazole;platinum is sourced from PubChem (CID 58401404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).