(Z)-4-ethyl-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;[2-[2-(hydroxymethyl)-6-methoxy-4H-pyridin-4-id-3-yl]-4-pyridinyl]methanol;platinum

C26H37N2O5Pt- — CID 58401694

IUPAC(Z)-4-ethyl-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;[2-[2-(hydroxymethyl)-6-methoxy-4H-pyridin-4-id-3-yl]-4-pyridinyl]methanol;platinum
SMILESCC/C(C(=O)C(C)(C)C)=C(/O)C(C)(C)C.COc1c[c-]c(-c2cc(CO)ccn2)c(CO)n1.[Pt]
InChIInChI=1S/C13H13N2O3.C13H24O2.Pt/c1-18-13-3-2-10(12(8-17)15-13)11-6-9(7-16)4-5-14-11;1-8-9(10(14)12(2,3)4)11(15)13(5,6)7;/h3-6,16-17H,7-8H2,1H3;14H,8H2,1-7H3;/q-1;;/b;10-9-;
InChIKeyIKJVUYFUPJVJBY-MEILSSRFSA-N
MW652.67 g/mol
LogP4.80
Rot. Bonds6

About (Z)-4-ethyl-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;[2-[2-(hydroxymethyl)-6-methoxy-4H-pyridin-4-id-3-yl]-4-pyridinyl]methanol;platinum

(Z)-4-ethyl-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;[2-[2-(hydroxymethyl)-6-methoxy-4H-pyridin-4-id-3-yl]-4-pyridinyl]methanol;platinum (PubChem CID 58401694) has the molecular formula C26H37N2O5Pt- and a molecular weight of 652.67 g/mol. Its IUPAC name is (Z)-4-ethyl-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;[2-[2-(hydroxymethyl)-6-methoxy-4H-pyridin-4-id-3-yl]-4-pyridinyl]methanol;platinum.

Molecular Properties

Compound Name(Z)-4-ethyl-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;[2-[2-(hydroxymethyl)-6-methoxy-4H-pyridin-4-id-3-yl]-4-pyridinyl]methanol;platinum
PubChem CID58401694
Molecular FormulaC26H37N2O5Pt-
Molecular Weight652.67 g/mol
Exact Mass652.24
IUPAC Name(Z)-4-ethyl-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;[2-[2-(hydroxymethyl)-6-methoxy-4H-pyridin-4-id-3-yl]-4-pyridinyl]methanol;platinum
SMILESCC/C(C(=O)C(C)(C)C)=C(/O)C(C)(C)C.COc1c[c-]c(-c2cc(CO)ccn2)c(CO)n1.[Pt]
InChIInChI=1S/C13H13N2O3.C13H24O2.Pt/c1-18-13-3-2-10(12(8-17)15-13)11-6-9(7-16)4-5-14-11;1-8-9(10(14)12(2,3)4)11(15)13(5,6)7;/h3-6,16-17H,7-8H2,1H3;14H,8H2,1-7H3;/q-1;;/b;10-9-;
InChIKeyIKJVUYFUPJVJBY-MEILSSRFSA-N
XLogP4.80
TPSA112.77 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500652.67
LogP ≤ 54.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

[2-[2-(hydroxymethyl)-4-methoxybenzene-6-id-1-yl]-4-pyridinyl]methanol;(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;platinum
CID 58401881
[2-[2-(hydroxymethyl)-4,5-dimethoxybenzene-6-id-1-yl]-4-pyridinyl]methanol;(Z)-4-hydroxypent-3-en-2-one;platinum
CID 58401761
2-[6-(hydroxymethyl)-4H-pyridin-4-id-3-yl]pyridine-4-carbaldehyde;iridium;[2-(6-methoxy-4H-pyridin-4-id-3-yl)-4-pyridinyl]methanol;pyridine-2-carboxylic acid
CID 58401669
tris([2-[4-(hydroxymethyl)-2-pyridinyl]-4-pyridinyl]methanol);ruthenium(2+);dichloride
CID 170900756
[2-[2-(hydroxymethyl)-4-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;platinum
CID 58401251
iridium;[5-methoxy-2-[4-(methylaminomethyl)-2-pyridinyl]benzene-3-id-1-yl]methanol;pyridine-2-carboxylic acid
CID 58401447
[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]methanol
CID 61257367
4-(2,2-dimethylpropyl)-2-[4-(2,2-dimethylpropyl)-2-pyridinyl]pyridine;3-[4-(2,2-dimethylpropyl)-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;iridium
CID 58162269
2-[4-(hydroxymethyl)-2-methoxyphenoxy]pyrimidine-4-carboxylic acid
CID 107744872
1-(4-methoxypyrimidin-2-yl)-3,3-dimethylbutan-2-one
CID 63199342
[1-[4-(hydroxymethyl)-2-pyridinyl]-2-methylpropan-2-yl] carbamate
CID 152688524
[2-[4-(dimethylamino)benzene-6-id-1-yl]-4-pyridinyl]methanol;4-(4-methoxy-2-pyridinyl)-N,N-dimethylbenzene-5-id-1-amine;platinum(2+)
CID 58401267

Frequently Asked Questions

What is the IUPAC name of (Z)-4-ethyl-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;[2-[2-(hydroxymethyl)-6-methoxy-4H-pyridin-4-id-3-yl]-4-pyridinyl]methanol;platinum?
The IUPAC name of (Z)-4-ethyl-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;[2-[2-(hydroxymethyl)-6-methoxy-4H-pyridin-4-id-3-yl]-4-pyridinyl]methanol;platinum (CID 58401694) is (Z)-4-ethyl-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;[2-[2-(hydroxymethyl)-6-methoxy-4H-pyridin-4-id-3-yl]-4-pyridinyl]methanol;platinum.
What is the SMILES notation for (Z)-4-ethyl-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;[2-[2-(hydroxymethyl)-6-methoxy-4H-pyridin-4-id-3-yl]-4-pyridinyl]methanol;platinum?
The canonical SMILES for (Z)-4-ethyl-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;[2-[2-(hydroxymethyl)-6-methoxy-4H-pyridin-4-id-3-yl]-4-pyridinyl]methanol;platinum is CC/C(C(=O)C(C)(C)C)=C(/O)C(C)(C)C.COc1c[c-]c(-c2cc(CO)ccn2)c(CO)n1.[Pt].
What is the InChIKey of (Z)-4-ethyl-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;[2-[2-(hydroxymethyl)-6-methoxy-4H-pyridin-4-id-3-yl]-4-pyridinyl]methanol;platinum?
The InChIKey is IKJVUYFUPJVJBY-MEILSSRFSA-N. The full InChI is InChI=1S/C13H13N2O3.C13H24O2.Pt/c1-18-13-3-2-10(12(8-17)15-13)11-6-9(7-16)4-5-14-11;1-8-9(10(14)12(2,3)4)11(15)13(5,6)7;/h3-6,16-17H,7-8H2,1H3;14H,8H2,1-7H3;/q-1;;/b;10-9-;.
What are the key properties of (Z)-4-ethyl-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;[2-[2-(hydroxymethyl)-6-methoxy-4H-pyridin-4-id-3-yl]-4-pyridinyl]methanol;platinum?
(Z)-4-ethyl-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;[2-[2-(hydroxymethyl)-6-methoxy-4H-pyridin-4-id-3-yl]-4-pyridinyl]methanol;platinum has a molecular weight of 652.67 g/mol, XLogP of 4.80, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-ethyl-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;[2-[2-(hydroxymethyl)-6-methoxy-4H-pyridin-4-id-3-yl]-4-pyridinyl]methanol;platinum is sourced from PubChem (CID 58401694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).