3-(1,3-dimethanidyloxypropan-2-yloxy)propane-1,2-diol;bis(3-methanidyloxypropane-1,2-diol);tetrakis(rutherfordium)

C16H34O11Rf4-4 — CID 177273999

IUPAC3-(1,3-dimethanidyloxypropan-2-yloxy)propane-1,2-diol;bis(3-methanidyloxypropane-1,2-diol);tetrakis(rutherfordium)
SMILES[CH2-]OCC(CO[CH2-])OCC(O)CO.[CH2-]OCC(O)CO.[CH2-]OCC(O)CO.[Rf].[Rf].[Rf].[Rf]
InChIInChI=1S/C8H16O5.2C4H9O3.4Rf/c1-11-5-8(6-12-2)13-4-7(10)3-9;2*1-7-3-4(6)2-5;;;;/h7-10H,1-6H2;2*4-6H,1-3H2;;;;/q-2;2*-1;;;;
InChIKeyWERCYEGIRKQJRN-UHFFFAOYSA-N
MW1470.44 g/mol
LogP-2.36
Rot. Bonds14

About 3-(1,3-dimethanidyloxypropan-2-yloxy)propane-1,2-diol;bis(3-methanidyloxypropane-1,2-diol);tetrakis(rutherfordium)

3-(1,3-dimethanidyloxypropan-2-yloxy)propane-1,2-diol;bis(3-methanidyloxypropane-1,2-diol);tetrakis(rutherfordium) (PubChem CID 177273999) has the molecular formula C16H34O11Rf4-4 and a molecular weight of 1470.44 g/mol. Its IUPAC name is 3-(1,3-dimethanidyloxypropan-2-yloxy)propane-1,2-diol;bis(3-methanidyloxypropane-1,2-diol);tetrakis(rutherfordium).

Molecular Properties

Compound Name3-(1,3-dimethanidyloxypropan-2-yloxy)propane-1,2-diol;bis(3-methanidyloxypropane-1,2-diol);tetrakis(rutherfordium)
PubChem CID177273999
Molecular FormulaC16H34O11Rf4-4
Molecular Weight1470.44 g/mol
Exact Mass1470.70
IUPAC Name3-(1,3-dimethanidyloxypropan-2-yloxy)propane-1,2-diol;bis(3-methanidyloxypropane-1,2-diol);tetrakis(rutherfordium)
SMILES[CH2-]OCC(CO[CH2-])OCC(O)CO.[CH2-]OCC(O)CO.[CH2-]OCC(O)CO.[Rf].[Rf].[Rf].[Rf]
InChIInChI=1S/C8H16O5.2C4H9O3.4Rf/c1-11-5-8(6-12-2)13-4-7(10)3-9;2*1-7-3-4(6)2-5;;;;/h7-10H,1-6H2;2*4-6H,1-3H2;;;;/q-2;2*-1;;;;
InChIKeyWERCYEGIRKQJRN-UHFFFAOYSA-N
XLogP-2.36
TPSA167.53 Ų
H-Bond Donors6
H-Bond Acceptors11
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001470.44
LogP ≤ 5-2.36
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[2-[3-[1-[1,3-bis(1,3-dihydroxypropan-2-yloxy)propan-2-yloxy]-3-[1-(1,3-dihydroxypropan-2-yloxy)-3-hydroxypropan-2-yl]oxypropan-2-yl]oxy-2-[3-(1,3-dihydroxypropan-2-yloxy)-2-(2,3-dihydroxypropoxy)propoxy]propoxy]-3-(1,3-dihydroxypropan-2-yloxy)propoxy]-3-hydroxypropoxy]-3-hydroxypropoxy]propane-1,3-diol
CID 89349229
3-[3-[3-[2-[2,3-bis[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]propoxy]-3-[1-(2,3-dihydroxypropoxy)-3-[1-(2,3-dihydroxypropoxy)-3-[3-(2,3-dihydroxypropoxy)-2-[3-(2,3-dihydroxypropoxy)-2-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]propoxy]propoxy]propan-2-yl]oxypropan-2-yl]oxypropoxy]-2-(2,3-dihydroxypropoxy)propoxy]-2-hydroxypropoxy]propane-1,2-diol
CID 58807552
2-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]propane-1,3-diol
CID 134863020
1-[3,5-bis(2-hydroxy-3-methanidyloxypropoxy)cyclohexyl]oxy-3-methanidyloxypropan-2-ol;tris(3-methanidyloxypropane-1,2-diol);tris(rutherfordium)
CID 177274067
3-[1-[2,3-bis[3-chloro-2-(2,3-dihydroxypropoxy)propoxy]propoxy]-3-chloropropan-2-yl]oxypropane-1,2-diol
CID 54196673
3-[1-[1-(2,3-dihydroxypropoxy)ethoxy]ethoxy]propane-1,2-diol
CID 87843229
3-(4-hydroxy-5-methanidyloxypentoxy)propane-1,2-diol;3-(2-hydroxy-3-methanidyloxypropoxy)propane-1,2-diol;1-[3-(2-hydroxy-3-methanidyloxypropoxy)propoxy]-3-methanidyloxypropan-2-ol;bis(rutherfordium)
CID 177273647
1,3-bis(1,3-dimethoxypropan-2-yloxy)propan-2-ol
CID 71445138
3-[2-(2,3-dihydroxypropoxy)-3-sulfanylpropoxy]propane-1,2-diol
CID 57044013
2,3-bis(2,3-dihydroxypropoxy)butanedioic acid
CID 174626088
2-(2,3-dihydroxypropoxy)-2-hydroxyacetic acid
CID 87578762
3-[1-(2-hydroxy-3-prop-2-enoxypropoxy)-3-prop-2-enoxypropan-2-yl]oxypropane-1,2-diol
CID 88980935

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dimethanidyloxypropan-2-yloxy)propane-1,2-diol;bis(3-methanidyloxypropane-1,2-diol);tetrakis(rutherfordium)?
The IUPAC name of 3-(1,3-dimethanidyloxypropan-2-yloxy)propane-1,2-diol;bis(3-methanidyloxypropane-1,2-diol);tetrakis(rutherfordium) (CID 177273999) is 3-(1,3-dimethanidyloxypropan-2-yloxy)propane-1,2-diol;bis(3-methanidyloxypropane-1,2-diol);tetrakis(rutherfordium).
What is the SMILES notation for 3-(1,3-dimethanidyloxypropan-2-yloxy)propane-1,2-diol;bis(3-methanidyloxypropane-1,2-diol);tetrakis(rutherfordium)?
The canonical SMILES for 3-(1,3-dimethanidyloxypropan-2-yloxy)propane-1,2-diol;bis(3-methanidyloxypropane-1,2-diol);tetrakis(rutherfordium) is [CH2-]OCC(CO[CH2-])OCC(O)CO.[CH2-]OCC(O)CO.[CH2-]OCC(O)CO.[Rf].[Rf].[Rf].[Rf].
What is the InChIKey of 3-(1,3-dimethanidyloxypropan-2-yloxy)propane-1,2-diol;bis(3-methanidyloxypropane-1,2-diol);tetrakis(rutherfordium)?
The InChIKey is WERCYEGIRKQJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O5.2C4H9O3.4Rf/c1-11-5-8(6-12-2)13-4-7(10)3-9;2*1-7-3-4(6)2-5;;;;/h7-10H,1-6H2;2*4-6H,1-3H2;;;;/q-2;2*-1;;;;.
What are the key properties of 3-(1,3-dimethanidyloxypropan-2-yloxy)propane-1,2-diol;bis(3-methanidyloxypropane-1,2-diol);tetrakis(rutherfordium)?
3-(1,3-dimethanidyloxypropan-2-yloxy)propane-1,2-diol;bis(3-methanidyloxypropane-1,2-diol);tetrakis(rutherfordium) has a molecular weight of 1470.44 g/mol, XLogP of -2.36, 14 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dimethanidyloxypropan-2-yloxy)propane-1,2-diol;bis(3-methanidyloxypropane-1,2-diol);tetrakis(rutherfordium) is sourced from PubChem (CID 177273999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).