4-hydroxypent-3-en-2-one;phenylbenzene;platinum(2+)

C17H16O2Pt — CID 158441264

IUPAC4-hydroxypent-3-en-2-one;phenylbenzene;platinum(2+)
SMILESCC(=O)C=C(C)O.[Pt+2].[c-]1ccccc1-c1[c-]cccc1
InChIInChI=1S/C12H8.C5H8O2.Pt/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-4(6)3-5(2)7;/h1-7,9H;3,6H,1-2H3;/q-2;;+2
InChIKeyASUCPCQIMUCNKZ-UHFFFAOYSA-N
MW447.39 g/mol
LogP3.99
Rot. Bonds2

About 4-hydroxypent-3-en-2-one;phenylbenzene;platinum(2+)

4-hydroxypent-3-en-2-one;phenylbenzene;platinum(2+) (PubChem CID 158441264) has the molecular formula C17H16O2Pt and a molecular weight of 447.39 g/mol. Its IUPAC name is 4-hydroxypent-3-en-2-one;phenylbenzene;platinum(2+).

Molecular Properties

Compound Name4-hydroxypent-3-en-2-one;phenylbenzene;platinum(2+)
PubChem CID158441264
Molecular FormulaC17H16O2Pt
Molecular Weight447.39 g/mol
Exact Mass447.08
IUPAC Name4-hydroxypent-3-en-2-one;phenylbenzene;platinum(2+)
SMILESCC(=O)C=C(C)O.[Pt+2].[c-]1ccccc1-c1[c-]cccc1
InChIInChI=1S/C12H8.C5H8O2.Pt/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-4(6)3-5(2)7;/h1-7,9H;3,6H,1-2H3;/q-2;;+2
InChIKeyASUCPCQIMUCNKZ-UHFFFAOYSA-N
XLogP3.99
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.39
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-4-hydroxypent-3-en-2-one;2-phenylpyridine;rhodium
CID 58099744
(Z)-4-hydroxypent-3-en-2-one;iridium;2-phenyl-3a,7a-dihydro-1,3-benzothiazole
CID 58958932
(Z)-4-hydroxypent-3-en-2-one;iridium;4-phenylbenzo[f]isoquinoline
CID 59470234
5-(2,6-dimethylphenyl)-2-phenylpyrimidine;bis(4-hydroxypent-3-en-2-one);bis(iridium);5-phenyl-2-phenylpyrimidine
CID 159349162
(Z)-4-hydroxypent-3-en-2-one;iridium;6-methyl-4-phenylthieno[3,2-c]pyridine
CID 155785071
(Z)-4-hydroxypent-3-en-2-one;iridium;2-phenyl-5-phenylthieno[3,2-b]pyridine
CID 155629104
(Z)-4-hydroxypent-3-en-2-one;iridium;2-phenyl-5-phenylselenopheno[3,2-b]pyridine
CID 166039650
4-hydroxypent-3-en-2-one;iridium;2-phenylpyrido[3,4-h]quinazoline
CID 161338404
(Z)-4-hydroxypent-3-en-2-one;iridium;3-phenylindeno[2,1-f]quinolin-11-one
CID 154625724
(Z)-4-hydroxypent-3-en-2-one;iridium;3-phenyl-6,10-dihydro-4H-isochromeno[4,3-b]pyridine-4,10-diide;yttrium
CID 153446994
4-hydroxypent-3-en-2-one;bis(iridium);3-phenyl-[1,2]thiazolo[4,5-c]pyridine;bis(3-phenyl-[1,2]thiazolo[4,5-c]pyridine)
CID 158242954
(Z)-4-hydroxypent-3-en-2-one;iridium;3-methyl-2-phenyl-6-phenylthieno[2,3-b]pyridine
CID 155629226

Frequently Asked Questions

What is the IUPAC name of 4-hydroxypent-3-en-2-one;phenylbenzene;platinum(2+)?
The IUPAC name of 4-hydroxypent-3-en-2-one;phenylbenzene;platinum(2+) (CID 158441264) is 4-hydroxypent-3-en-2-one;phenylbenzene;platinum(2+).
What is the SMILES notation for 4-hydroxypent-3-en-2-one;phenylbenzene;platinum(2+)?
The canonical SMILES for 4-hydroxypent-3-en-2-one;phenylbenzene;platinum(2+) is CC(=O)C=C(C)O.[Pt+2].[c-]1ccccc1-c1[c-]cccc1.
What is the InChIKey of 4-hydroxypent-3-en-2-one;phenylbenzene;platinum(2+)?
The InChIKey is ASUCPCQIMUCNKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8.C5H8O2.Pt/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-4(6)3-5(2)7;/h1-7,9H;3,6H,1-2H3;/q-2;;+2.
What are the key properties of 4-hydroxypent-3-en-2-one;phenylbenzene;platinum(2+)?
4-hydroxypent-3-en-2-one;phenylbenzene;platinum(2+) has a molecular weight of 447.39 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxypent-3-en-2-one;phenylbenzene;platinum(2+) is sourced from PubChem (CID 158441264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).