tris(1,3-dimethanidyloxypropan-2-ol);bis(1-[2-hydroxy-3-(2-hydroxyethoxy)propoxy]-3-methanidyloxypropan-2-ol);tetrakis(rutherfordium)

C33H68O21Rf4-8 — CID 177274089

About tris(1,3-dimethanidyloxypropan-2-ol);bis(1-[2-hydroxy-3-(2-hydroxyethoxy)propoxy]-3-methanidyloxypropan-2-ol);tetrakis(rutherfordium)

tris(1,3-dimethanidyloxypropan-2-ol);bis(1-[2-hydroxy-3-(2-hydroxyethoxy)propoxy]-3-methanidyloxypropan-2-ol);tetrakis(rutherfordium) (PubChem CID 177274089) has the molecular formula C33H68O21Rf4-8 and a molecular weight of 1868.89 g/mol. Its IUPAC name is tris(1,3-dimethanidyloxypropan-2-ol);bis(1-[2-hydroxy-3-(2-hydroxyethoxy)propoxy]-3-methanidyloxypropan-2-ol);tetrakis(rutherfordium).

Molecular Properties

• Compound Name: tris(1,3-dimethanidyloxypropan-2-ol);bis(1-[2-hydroxy-3-(2-hydroxyethoxy)propoxy]-3-methanidyloxypropan-2-ol);tetrakis(rutherfordium)
• PubChem CID: 177274089
• Molecular Formula: C33H68O21Rf4-8
• Molecular Weight: 1868.89 g/mol
• Exact Mass: 1868.92
• IUPAC Name: tris(1,3-dimethanidyloxypropan-2-ol);bis(1-[2-hydroxy-3-(2-hydroxyethoxy)propoxy]-3-methanidyloxypropan-2-ol);tetrakis(rutherfordium)
• SMILES: [CH2-]OCC(O)COCC(O)COCCO.[CH2-]OCC(O)COCC(O)COCCO.[CH2-]OCC(O)CO[CH2-].[CH2-]OCC(O)CO[CH2-].[CH2-]OCC(O)CO[CH2-].[Rf].[Rf].[Rf].[Rf]
• InChI: InChI=1S/2C9H19O6.3C5H10O3.4Rf/c2*1-13-4-8(11)6-15-7-9(12)5-14-3-2-10;3*1-7-3-5(6)4-8-2;;;;/h2*8-12H,1-7H2;3*5-6H,1-4H2;;;;/q2*-1;3*-2
• InChIKey: CEPNJQQFRIGBGA-UHFFFAOYSA-N
• XLogP: -3.03
• TPSA: 292.83 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 21
• Rotatable Bonds: 32
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1868.89
LogP ≤ 5	-3.03
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tris(1,3-dimethanidyloxypropan-2-ol);bis(1-[2-hydroxy-3-(2-hydroxyethoxy)propoxy]-3-methanidyloxypropan-2-ol);tetrakis(rutherfordium)?

The IUPAC name of tris(1,3-dimethanidyloxypropan-2-ol);bis(1-[2-hydroxy-3-(2-hydroxyethoxy)propoxy]-3-methanidyloxypropan-2-ol);tetrakis(rutherfordium) (CID 177274089) is tris(1,3-dimethanidyloxypropan-2-ol);bis(1-[2-hydroxy-3-(2-hydroxyethoxy)propoxy]-3-methanidyloxypropan-2-ol);tetrakis(rutherfordium).

What is the SMILES notation for tris(1,3-dimethanidyloxypropan-2-ol);bis(1-[2-hydroxy-3-(2-hydroxyethoxy)propoxy]-3-methanidyloxypropan-2-ol);tetrakis(rutherfordium)?

The canonical SMILES for tris(1,3-dimethanidyloxypropan-2-ol);bis(1-[2-hydroxy-3-(2-hydroxyethoxy)propoxy]-3-methanidyloxypropan-2-ol);tetrakis(rutherfordium) is [CH2-]OCC(O)COCC(O)COCCO.[CH2-]OCC(O)COCC(O)COCCO.[CH2-]OCC(O)CO[CH2-].[CH2-]OCC(O)CO[CH2-].[CH2-]OCC(O)CO[CH2-].[Rf].[Rf].[Rf].[Rf].

What is the InChIKey of tris(1,3-dimethanidyloxypropan-2-ol);bis(1-[2-hydroxy-3-(2-hydroxyethoxy)propoxy]-3-methanidyloxypropan-2-ol);tetrakis(rutherfordium)?

The InChIKey is CEPNJQQFRIGBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H19O6.3C5H10O3.4Rf/c2*1-13-4-8(11)6-15-7-9(12)5-14-3-2-10;3*1-7-3-5(6)4-8-2;;;;/h2*8-12H,1-7H2;3*5-6H,1-4H2;;;;/q2*-1;3*-2;;;;.

What are the key properties of tris(1,3-dimethanidyloxypropan-2-ol);bis(1-[2-hydroxy-3-(2-hydroxyethoxy)propoxy]-3-methanidyloxypropan-2-ol);tetrakis(rutherfordium)?

tris(1,3-dimethanidyloxypropan-2-ol);bis(1-[2-hydroxy-3-(2-hydroxyethoxy)propoxy]-3-methanidyloxypropan-2-ol);tetrakis(rutherfordium) has a molecular weight of 1868.89 g/mol, XLogP of -3.03, 32 rotatable bonds, 9 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for tris(1,3-dimethanidyloxypropan-2-ol);bis(1-[2-hydroxy-3-(2-hydroxyethoxy)propoxy]-3-methanidyloxypropan-2-ol);tetrakis(rutherfordium) is sourced from PubChem (CID 177274089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).