1,3-dimethanidyloxypropan-2-ol;bis(3-methanidyloxyprop-1-ene);bis(rutherfordium)

C13H24O5Rf2-4 — CID 177274101

IUPAC1,3-dimethanidyloxypropan-2-ol;bis(3-methanidyloxyprop-1-ene);bis(rutherfordium)
SMILESC=CCO[CH2-].C=CCO[CH2-].[CH2-]OCC(O)CO[CH2-].[Rf].[Rf]
InChIInChI=1S/C5H10O3.2C4H7O.2Rf/c1-7-3-5(6)4-8-2;2*1-3-4-5-2;;/h5-6H,1-4H2;2*3H,1-2,4H2;;/q-2;2*-1;;
InChIKeyMRGFNPDCKAUQDK-UHFFFAOYSA-N
MW794.33 g/mol
LogP1.92
Rot. Bonds8

About 1,3-dimethanidyloxypropan-2-ol;bis(3-methanidyloxyprop-1-ene);bis(rutherfordium)

1,3-dimethanidyloxypropan-2-ol;bis(3-methanidyloxyprop-1-ene);bis(rutherfordium) (PubChem CID 177274101) has the molecular formula C13H24O5Rf2-4 and a molecular weight of 794.33 g/mol. Its IUPAC name is 1,3-dimethanidyloxypropan-2-ol;bis(3-methanidyloxyprop-1-ene);bis(rutherfordium).

Molecular Properties

Compound Name1,3-dimethanidyloxypropan-2-ol;bis(3-methanidyloxyprop-1-ene);bis(rutherfordium)
PubChem CID177274101
Molecular FormulaC13H24O5Rf2-4
Molecular Weight794.33 g/mol
Exact Mass794.41
IUPAC Name1,3-dimethanidyloxypropan-2-ol;bis(3-methanidyloxyprop-1-ene);bis(rutherfordium)
SMILESC=CCO[CH2-].C=CCO[CH2-].[CH2-]OCC(O)CO[CH2-].[Rf].[Rf]
InChIInChI=1S/C5H10O3.2C4H7O.2Rf/c1-7-3-5(6)4-8-2;2*1-3-4-5-2;;/h5-6H,1-4H2;2*3H,1-2,4H2;;/q-2;2*-1;;
InChIKeyMRGFNPDCKAUQDK-UHFFFAOYSA-N
XLogP1.92
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500794.33
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethanidyloxypropan-2-ol;bis(3-methanidyloxyprop-1-ene);bis(rutherfordium)?
The IUPAC name of 1,3-dimethanidyloxypropan-2-ol;bis(3-methanidyloxyprop-1-ene);bis(rutherfordium) (CID 177274101) is 1,3-dimethanidyloxypropan-2-ol;bis(3-methanidyloxyprop-1-ene);bis(rutherfordium).
What is the SMILES notation for 1,3-dimethanidyloxypropan-2-ol;bis(3-methanidyloxyprop-1-ene);bis(rutherfordium)?
The canonical SMILES for 1,3-dimethanidyloxypropan-2-ol;bis(3-methanidyloxyprop-1-ene);bis(rutherfordium) is C=CCO[CH2-].C=CCO[CH2-].[CH2-]OCC(O)CO[CH2-].[Rf].[Rf].
What is the InChIKey of 1,3-dimethanidyloxypropan-2-ol;bis(3-methanidyloxyprop-1-ene);bis(rutherfordium)?
The InChIKey is MRGFNPDCKAUQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3.2C4H7O.2Rf/c1-7-3-5(6)4-8-2;2*1-3-4-5-2;;/h5-6H,1-4H2;2*3H,1-2,4H2;;/q-2;2*-1;;.
What are the key properties of 1,3-dimethanidyloxypropan-2-ol;bis(3-methanidyloxyprop-1-ene);bis(rutherfordium)?
1,3-dimethanidyloxypropan-2-ol;bis(3-methanidyloxyprop-1-ene);bis(rutherfordium) has a molecular weight of 794.33 g/mol, XLogP of 1.92, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethanidyloxypropan-2-ol;bis(3-methanidyloxyprop-1-ene);bis(rutherfordium) is sourced from PubChem (CID 177274101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).