bis(1-(2-hydroxyethoxy)-3-methanidyloxypropan-2-ol);1-[3-(2-hydroxy-3-methanidyloxypropoxy)propoxy]-3-methanidyloxypropan-2-ol;hexakis(rutherfordium)

C23H48O14Rf6-4 — CID 177273686

About bis(1-(2-hydroxyethoxy)-3-methanidyloxypropan-2-ol);1-[3-(2-hydroxy-3-methanidyloxypropoxy)propoxy]-3-methanidyloxypropan-2-ol;hexakis(rutherfordium)

bis(1-(2-hydroxyethoxy)-3-methanidyloxypropan-2-ol);1-[3-(2-hydroxy-3-methanidyloxypropoxy)propoxy]-3-methanidyloxypropan-2-ol;hexakis(rutherfordium) (PubChem CID 177273686) has the molecular formula C23H48O14Rf6-4 and a molecular weight of 2150.62 g/mol. Its IUPAC name is bis(1-(2-hydroxyethoxy)-3-methanidyloxypropan-2-ol);1-[3-(2-hydroxy-3-methanidyloxypropoxy)propoxy]-3-methanidyloxypropan-2-ol;hexakis(rutherfordium).

Molecular Properties

• Compound Name: bis(1-(2-hydroxyethoxy)-3-methanidyloxypropan-2-ol);1-[3-(2-hydroxy-3-methanidyloxypropoxy)propoxy]-3-methanidyloxypropan-2-ol;hexakis(rutherfordium)
• PubChem CID: 177273686
• Molecular Formula: C23H48O14Rf6-4
• Molecular Weight: 2150.62 g/mol
• Exact Mass: 2151.04
• IUPAC Name: bis(1-(2-hydroxyethoxy)-3-methanidyloxypropan-2-ol);1-[3-(2-hydroxy-3-methanidyloxypropoxy)propoxy]-3-methanidyloxypropan-2-ol;hexakis(rutherfordium)
• SMILES: [CH2-]OCC(O)COCCCOCC(O)CO[CH2-].[CH2-]OCC(O)COCCO.[CH2-]OCC(O)COCCO.[Rf].[Rf].[Rf].[Rf].[Rf].[Rf]
• InChI: InChI=1S/C11H22O6.2C6H13O4.6Rf/c1-14-6-10(12)8-16-4-3-5-17-9-11(13)7-15-2;2*1-9-4-6(8)5-10-3-2-7;;;;;;/h10-13H,1-9H2;2*6-8H,1-5H2;;;;;;/q-2;2*-1
• InChIKey: IBRZZASRNJAGRF-UHFFFAOYSA-N
• XLogP: -1.92
• TPSA: 195.22 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 14
• Rotatable Bonds: 24
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2150.62
LogP ≤ 5	-1.92
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	14

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 bis(1-(2-hydroxyethoxy)-3-methanidyloxypropan-2-ol);1-[3-(2-hydroxy-3-methanidyloxypropoxy)propoxy]-3-methanidyloxypropan-2-ol;hexakis(rutherfordium)?

The IUPAC name of bis(1-(2-hydroxyethoxy)-3-methanidyloxypropan-2-ol);1-[3-(2-hydroxy-3-methanidyloxypropoxy)propoxy]-3-methanidyloxypropan-2-ol;hexakis(rutherfordium) (CID 177273686) is bis(1-(2-hydroxyethoxy)-3-methanidyloxypropan-2-ol);1-[3-(2-hydroxy-3-methanidyloxypropoxy)propoxy]-3-methanidyloxypropan-2-ol;hexakis(rutherfordium).

What is the SMILES notation for bis(1-(2-hydroxyethoxy)-3-methanidyloxypropan-2-ol);1-[3-(2-hydroxy-3-methanidyloxypropoxy)propoxy]-3-methanidyloxypropan-2-ol;hexakis(rutherfordium)?

The canonical SMILES for bis(1-(2-hydroxyethoxy)-3-methanidyloxypropan-2-ol);1-[3-(2-hydroxy-3-methanidyloxypropoxy)propoxy]-3-methanidyloxypropan-2-ol;hexakis(rutherfordium) is [CH2-]OCC(O)COCCCOCC(O)CO[CH2-].[CH2-]OCC(O)COCCO.[CH2-]OCC(O)COCCO.[Rf].[Rf].[Rf].[Rf].[Rf].[Rf].

What is the InChIKey of bis(1-(2-hydroxyethoxy)-3-methanidyloxypropan-2-ol);1-[3-(2-hydroxy-3-methanidyloxypropoxy)propoxy]-3-methanidyloxypropan-2-ol;hexakis(rutherfordium)?

The InChIKey is IBRZZASRNJAGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O6.2C6H13O4.6Rf/c1-14-6-10(12)8-16-4-3-5-17-9-11(13)7-15-2;2*1-9-4-6(8)5-10-3-2-7;;;;;;/h10-13H,1-9H2;2*6-8H,1-5H2;;;;;;/q-2;2*-1;;;;;;.

What are the key properties of bis(1-(2-hydroxyethoxy)-3-methanidyloxypropan-2-ol);1-[3-(2-hydroxy-3-methanidyloxypropoxy)propoxy]-3-methanidyloxypropan-2-ol;hexakis(rutherfordium)?

bis(1-(2-hydroxyethoxy)-3-methanidyloxypropan-2-ol);1-[3-(2-hydroxy-3-methanidyloxypropoxy)propoxy]-3-methanidyloxypropan-2-ol;hexakis(rutherfordium) has a molecular weight of 2150.62 g/mol, XLogP of -1.92, 24 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for bis(1-(2-hydroxyethoxy)-3-methanidyloxypropan-2-ol);1-[3-(2-hydroxy-3-methanidyloxypropoxy)propoxy]-3-methanidyloxypropan-2-ol;hexakis(rutherfordium) is sourced from PubChem (CID 177273686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).