potassium;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hydride;tris(2-methylprop-2-enoic acid)

C18H33KO9 — CID 173388304

About potassium;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hydride;tris(2-methylprop-2-enoic acid)

potassium;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hydride;tris(2-methylprop-2-enoic acid) (PubChem CID 173388304) has the molecular formula C18H33KO9 and a molecular weight of 432.55 g/mol. Its IUPAC name is potassium;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hydride;tris(2-methylprop-2-enoic acid).

Molecular Properties

• Compound Name: potassium;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hydride;tris(2-methylprop-2-enoic acid)
• PubChem CID: 173388304
• Molecular Formula: C18H33KO9
• Molecular Weight: 432.55 g/mol
• Exact Mass: 432.18
• IUPAC Name: potassium;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hydride;tris(2-methylprop-2-enoic acid)
• SMILES: C=C(C)C(=O)O.C=C(C)C(=O)O.C=C(C)C(=O)O.CCC(CO)(CO)CO.[H-].[K+]
• InChI: InChI=1S/C6H14O3.3C4H6O2.K.H/c1-2-6(3-7,4-8)5-9;3*1-3(2)4(5)6;;/h7-9H,2-5H2,1H3;3*1H2,2H3,(H,5,6);;/q;;;;+1;-1
• InChIKey: IJKVOMQEBVCPPK-UHFFFAOYSA-N
• XLogP: -1.58
• TPSA: 172.59 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	432.55
LogP ≤ 5	-1.58
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of potassium;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hydride;tris(2-methylprop-2-enoic acid)?

The IUPAC name of potassium;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hydride;tris(2-methylprop-2-enoic acid) (CID 173388304) is potassium;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hydride;tris(2-methylprop-2-enoic acid).

What is the SMILES notation for potassium;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hydride;tris(2-methylprop-2-enoic acid)?

The canonical SMILES for potassium;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hydride;tris(2-methylprop-2-enoic acid) is C=C(C)C(=O)O.C=C(C)C(=O)O.C=C(C)C(=O)O.CCC(CO)(CO)CO.[H-].[K+].

What is the InChIKey of potassium;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hydride;tris(2-methylprop-2-enoic acid)?

The InChIKey is IJKVOMQEBVCPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O3.3C4H6O2.K.H/c1-2-6(3-7,4-8)5-9;3*1-3(2)4(5)6;;/h7-9H,2-5H2,1H3;3*1H2,2H3,(H,5,6);;/q;;;;+1;-1.

What are the key properties of potassium;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hydride;tris(2-methylprop-2-enoic acid)?

potassium;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hydride;tris(2-methylprop-2-enoic acid) has a molecular weight of 432.55 g/mol, XLogP of -1.58, 7 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hydride;tris(2-methylprop-2-enoic acid) is sourced from PubChem (CID 173388304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).