(Z)-4-hydroxypent-3-en-2-one;iridium;trimethyl-[4-(3-methylquinolin-2-yl)benzene-5-id-1-yl]silane

C24H28IrNO2Si- — CID 59022052

About (Z)-4-hydroxypent-3-en-2-one;iridium;trimethyl-[4-(3-methylquinolin-2-yl)benzene-5-id-1-yl]silane

(Z)-4-hydroxypent-3-en-2-one;iridium;trimethyl-[4-(3-methylquinolin-2-yl)benzene-5-id-1-yl]silane (PubChem CID 59022052) has the molecular formula C24H28IrNO2Si- and a molecular weight of 582.80 g/mol. Its IUPAC name is (Z)-4-hydroxypent-3-en-2-one;iridium;trimethyl-[4-(3-methylquinolin-2-yl)benzene-5-id-1-yl]silane.

Molecular Properties

• Compound Name: (Z)-4-hydroxypent-3-en-2-one;iridium;trimethyl-[4-(3-methylquinolin-2-yl)benzene-5-id-1-yl]silane
• PubChem CID: 59022052
• Molecular Formula: C24H28IrNO2Si-
• Molecular Weight: 582.80 g/mol
• Exact Mass: 583.15
• IUPAC Name: (Z)-4-hydroxypent-3-en-2-one;iridium;trimethyl-[4-(3-methylquinolin-2-yl)benzene-5-id-1-yl]silane
• SMILES: CC(=O)/C=C(/C)O.Cc1cc2ccccc2nc1-c1[c-]cc([Si](C)(C)C)cc1.[Ir]
• InChI: InChI=1S/C19H20NSi.C5H8O2.Ir/c1-14-13-16-7-5-6-8-18(16)20-19(14)15-9-11-17(12-10-15)21(2,3)4;1-4(6)3-5(2)7;/h5-9,11-13H,1-4H3;3,6H,1-2H3;/q-1;;/b;4-3-
• InChIKey: GSDKPHJCQXIVKB-LWFKIUJUSA-N
• XLogP: 5.59
• TPSA: 50.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	582.80
LogP ≤ 5	5.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (Z)-4-hydroxypent-3-en-2-one;iridium;trimethyl-[4-(3-methylquinolin-2-yl)benzene-5-id-1-yl]silane?

The IUPAC name of (Z)-4-hydroxypent-3-en-2-one;iridium;trimethyl-[4-(3-methylquinolin-2-yl)benzene-5-id-1-yl]silane (CID 59022052) is (Z)-4-hydroxypent-3-en-2-one;iridium;trimethyl-[4-(3-methylquinolin-2-yl)benzene-5-id-1-yl]silane.

What is the SMILES notation for (Z)-4-hydroxypent-3-en-2-one;iridium;trimethyl-[4-(3-methylquinolin-2-yl)benzene-5-id-1-yl]silane?

The canonical SMILES for (Z)-4-hydroxypent-3-en-2-one;iridium;trimethyl-[4-(3-methylquinolin-2-yl)benzene-5-id-1-yl]silane is CC(=O)/C=C(/C)O.Cc1cc2ccccc2nc1-c1[c-]cc([Si](C)(C)C)cc1.[Ir].

What is the InChIKey of (Z)-4-hydroxypent-3-en-2-one;iridium;trimethyl-[4-(3-methylquinolin-2-yl)benzene-5-id-1-yl]silane?

The InChIKey is GSDKPHJCQXIVKB-LWFKIUJUSA-N. The full InChI is InChI=1S/C19H20NSi.C5H8O2.Ir/c1-14-13-16-7-5-6-8-18(16)20-19(14)15-9-11-17(12-10-15)21(2,3)4;1-4(6)3-5(2)7;/h5-9,11-13H,1-4H3;3,6H,1-2H3;/q-1;;/b;4-3-;.

What are the key properties of (Z)-4-hydroxypent-3-en-2-one;iridium;trimethyl-[4-(3-methylquinolin-2-yl)benzene-5-id-1-yl]silane?

(Z)-4-hydroxypent-3-en-2-one;iridium;trimethyl-[4-(3-methylquinolin-2-yl)benzene-5-id-1-yl]silane has a molecular weight of 582.80 g/mol, XLogP of 5.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-4-hydroxypent-3-en-2-one;iridium;trimethyl-[4-(3-methylquinolin-2-yl)benzene-5-id-1-yl]silane is sourced from PubChem (CID 59022052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).