bis(1-methanidyloxy-3-[3-(oxiran-2-ylmethoxy)propoxy]propan-2-ol);rutherfordium

C20H38O10Rf-2 — CID 177273640

About bis(1-methanidyloxy-3-[3-(oxiran-2-ylmethoxy)propoxy]propan-2-ol);rutherfordium

bis(1-methanidyloxy-3-[3-(oxiran-2-ylmethoxy)propoxy]propan-2-ol);rutherfordium (PubChem CID 177273640) has the molecular formula C20H38O10Rf-2 and a molecular weight of 705.51 g/mol. Its IUPAC name is bis(1-methanidyloxy-3-[3-(oxiran-2-ylmethoxy)propoxy]propan-2-ol);rutherfordium.

Molecular Properties

• Compound Name: bis(1-methanidyloxy-3-[3-(oxiran-2-ylmethoxy)propoxy]propan-2-ol);rutherfordium
• PubChem CID: 177273640
• Molecular Formula: C20H38O10Rf-2
• Molecular Weight: 705.51 g/mol
• Exact Mass: 705.37
• IUPAC Name: bis(1-methanidyloxy-3-[3-(oxiran-2-ylmethoxy)propoxy]propan-2-ol);rutherfordium
• SMILES: [CH2-]OCC(O)COCCCOCC1CO1.[CH2-]OCC(O)COCCCOCC1CO1.[Rf]
• InChI: InChI=1S/2C10H19O5.Rf/c2*1-12-5-9(11)6-13-3-2-4-14-7-10-8-15-10;/h2*9-11H,1-8H2;/q2*-1
• InChIKey: DKAJLAQPOIMVKT-UHFFFAOYSA-N
• XLogP: -0.04
• TPSA: 120.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 20
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	705.51
LogP ≤ 5	-0.04
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(1-methanidyloxy-3-[3-(oxiran-2-ylmethoxy)propoxy]propan-2-ol);rutherfordium?

The IUPAC name of bis(1-methanidyloxy-3-[3-(oxiran-2-ylmethoxy)propoxy]propan-2-ol);rutherfordium (CID 177273640) is bis(1-methanidyloxy-3-[3-(oxiran-2-ylmethoxy)propoxy]propan-2-ol);rutherfordium.

What is the SMILES notation for bis(1-methanidyloxy-3-[3-(oxiran-2-ylmethoxy)propoxy]propan-2-ol);rutherfordium?

The canonical SMILES for bis(1-methanidyloxy-3-[3-(oxiran-2-ylmethoxy)propoxy]propan-2-ol);rutherfordium is [CH2-]OCC(O)COCCCOCC1CO1.[CH2-]OCC(O)COCCCOCC1CO1.[Rf].

What is the InChIKey of bis(1-methanidyloxy-3-[3-(oxiran-2-ylmethoxy)propoxy]propan-2-ol);rutherfordium?

The InChIKey is DKAJLAQPOIMVKT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H19O5.Rf/c2*1-12-5-9(11)6-13-3-2-4-14-7-10-8-15-10;/h2*9-11H,1-8H2;/q2*-1;.

What are the key properties of bis(1-methanidyloxy-3-[3-(oxiran-2-ylmethoxy)propoxy]propan-2-ol);rutherfordium?

bis(1-methanidyloxy-3-[3-(oxiran-2-ylmethoxy)propoxy]propan-2-ol);rutherfordium has a molecular weight of 705.51 g/mol, XLogP of -0.04, 20 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for bis(1-methanidyloxy-3-[3-(oxiran-2-ylmethoxy)propoxy]propan-2-ol);rutherfordium is sourced from PubChem (CID 177273640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).