acetic acid;tetrakis(copper(1+));3,6-dihydro-2H-pyridin-1-id-6-ylmethanol;tris(piperidin-1-id-2-ylmethanol)

C32H62Cu4N4O12 — CID 5245924

About acetic acid;tetrakis(copper(1+));3,6-dihydro-2H-pyridin-1-id-6-ylmethanol;tris(piperidin-1-id-2-ylmethanol)

acetic acid;tetrakis(copper(1+));3,6-dihydro-2H-pyridin-1-id-6-ylmethanol;tris(piperidin-1-id-2-ylmethanol) (PubChem CID 5245924) has the molecular formula C32H62Cu4N4O12 and a molecular weight of 949.05 g/mol. Its IUPAC name is acetic acid;tetrakis(copper(1+));3,6-dihydro-2H-pyridin-1-id-6-ylmethanol;tris(piperidin-1-id-2-ylmethanol).

Molecular Properties

• Compound Name: acetic acid;tetrakis(copper(1+));3,6-dihydro-2H-pyridin-1-id-6-ylmethanol;tris(piperidin-1-id-2-ylmethanol)
• PubChem CID: 5245924
• Molecular Formula: C32H62Cu4N4O12
• Molecular Weight: 949.05 g/mol
• Exact Mass: 946.15
• IUPAC Name: acetic acid;tetrakis(copper(1+));3,6-dihydro-2H-pyridin-1-id-6-ylmethanol;tris(piperidin-1-id-2-ylmethanol)
• SMILES: CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.OCC1C=CCC[N-]1.OCC1CCCC[N-]1.OCC1CCCC[N-]1.OCC1CCCC[N-]1.[Cu+].[Cu+].[Cu+].[Cu+]
• InChI: InChI=1S/3C6H12NO.C6H10NO.4C2H4O2.4Cu/c4*8-5-6-3-1-2-4-7-6;4*1-2(3)4;;;;/h3*6,8H,1-5H2;1,3,6,8H,2,4-5H2;4*1H3,(H,3,4);;;;/q4*-1;;;;;4*+1
• InChIKey: IGQRJRBAKLGQDB-UHFFFAOYSA-N
• XLogP: 3.75
• TPSA: 286.52 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	949.05
LogP ≤ 5	3.75
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of acetic acid;tetrakis(copper(1+));3,6-dihydro-2H-pyridin-1-id-6-ylmethanol;tris(piperidin-1-id-2-ylmethanol)?

The IUPAC name of acetic acid;tetrakis(copper(1+));3,6-dihydro-2H-pyridin-1-id-6-ylmethanol;tris(piperidin-1-id-2-ylmethanol) (CID 5245924) is acetic acid;tetrakis(copper(1+));3,6-dihydro-2H-pyridin-1-id-6-ylmethanol;tris(piperidin-1-id-2-ylmethanol).

What is the SMILES notation for acetic acid;tetrakis(copper(1+));3,6-dihydro-2H-pyridin-1-id-6-ylmethanol;tris(piperidin-1-id-2-ylmethanol)?

The canonical SMILES for acetic acid;tetrakis(copper(1+));3,6-dihydro-2H-pyridin-1-id-6-ylmethanol;tris(piperidin-1-id-2-ylmethanol) is CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.OCC1C=CCC[N-]1.OCC1CCCC[N-]1.OCC1CCCC[N-]1.OCC1CCCC[N-]1.[Cu+].[Cu+].[Cu+].[Cu+].

What is the InChIKey of acetic acid;tetrakis(copper(1+));3,6-dihydro-2H-pyridin-1-id-6-ylmethanol;tris(piperidin-1-id-2-ylmethanol)?

The InChIKey is IGQRJRBAKLGQDB-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H12NO.C6H10NO.4C2H4O2.4Cu/c4*8-5-6-3-1-2-4-7-6;4*1-2(3)4;;;;/h3*6,8H,1-5H2;1,3,6,8H,2,4-5H2;4*1H3,(H,3,4);;;;/q4*-1;;;;;4*+1.

What are the key properties of acetic acid;tetrakis(copper(1+));3,6-dihydro-2H-pyridin-1-id-6-ylmethanol;tris(piperidin-1-id-2-ylmethanol)?

acetic acid;tetrakis(copper(1+));3,6-dihydro-2H-pyridin-1-id-6-ylmethanol;tris(piperidin-1-id-2-ylmethanol) has a molecular weight of 949.05 g/mol, XLogP of 3.75, 4 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for acetic acid;tetrakis(copper(1+));3,6-dihydro-2H-pyridin-1-id-6-ylmethanol;tris(piperidin-1-id-2-ylmethanol) is sourced from PubChem (CID 5245924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).