1,8-dimethanidyloxyoctane-2,7-diol;bis(1,3-dimethanidyloxypropan-2-ol);bis(1-(2-hydroxyethoxy)-3-methanidyloxypropan-2-ol);tetrakis(rutherfordium)

C32H66O18Rf4-8 — CID 177274110

IUPAC1,8-dimethanidyloxyoctane-2,7-diol;bis(1,3-dimethanidyloxypropan-2-ol);bis(1-(2-hydroxyethoxy)-3-methanidyloxypropan-2-ol);tetrakis(rutherfordium)
SMILES[CH2-]OCC(O)CCCCC(O)CO[CH2-].[CH2-]OCC(O)COCCO.[CH2-]OCC(O)COCCO.[CH2-]OCC(O)CO[CH2-].[CH2-]OCC(O)CO[CH2-].[Rf].[Rf].[Rf].[Rf]
InChIInChI=1S/C10H20O4.2C6H13O4.2C5H10O3.4Rf/c1-13-7-9(11)5-3-4-6-10(12)8-14-2;2*1-9-4-6(8)5-10-3-2-7;2*1-7-3-5(6)4-8-2;;;;/h9-12H,1-8H2;2*6-8H,1-5H2;2*5-6H,1-4H2;;;;/q-2;2*-1;2*-2;;;;
InChIKeyZXZYXCBJHKHKLN-UHFFFAOYSA-N
MW1806.86 g/mol
LogP-0.86
Rot. Bonds29

About 1,8-dimethanidyloxyoctane-2,7-diol;bis(1,3-dimethanidyloxypropan-2-ol);bis(1-(2-hydroxyethoxy)-3-methanidyloxypropan-2-ol);tetrakis(rutherfordium)

1,8-dimethanidyloxyoctane-2,7-diol;bis(1,3-dimethanidyloxypropan-2-ol);bis(1-(2-hydroxyethoxy)-3-methanidyloxypropan-2-ol);tetrakis(rutherfordium) (PubChem CID 177274110) has the molecular formula C32H66O18Rf4-8 and a molecular weight of 1806.86 g/mol. Its IUPAC name is 1,8-dimethanidyloxyoctane-2,7-diol;bis(1,3-dimethanidyloxypropan-2-ol);bis(1-(2-hydroxyethoxy)-3-methanidyloxypropan-2-ol);tetrakis(rutherfordium).

Molecular Properties

Compound Name1,8-dimethanidyloxyoctane-2,7-diol;bis(1,3-dimethanidyloxypropan-2-ol);bis(1-(2-hydroxyethoxy)-3-methanidyloxypropan-2-ol);tetrakis(rutherfordium)
PubChem CID177274110
Molecular FormulaC32H66O18Rf4-8
Molecular Weight1806.86 g/mol
Exact Mass1806.92
IUPAC Name1,8-dimethanidyloxyoctane-2,7-diol;bis(1,3-dimethanidyloxypropan-2-ol);bis(1-(2-hydroxyethoxy)-3-methanidyloxypropan-2-ol);tetrakis(rutherfordium)
SMILES[CH2-]OCC(O)CCCCC(O)CO[CH2-].[CH2-]OCC(O)COCCO.[CH2-]OCC(O)COCCO.[CH2-]OCC(O)CO[CH2-].[CH2-]OCC(O)CO[CH2-].[Rf].[Rf].[Rf].[Rf]
InChIInChI=1S/C10H20O4.2C6H13O4.2C5H10O3.4Rf/c1-13-7-9(11)5-3-4-6-10(12)8-14-2;2*1-9-4-6(8)5-10-3-2-7;2*1-7-3-5(6)4-8-2;;;;/h9-12H,1-8H2;2*6-8H,1-5H2;2*5-6H,1-4H2;;;;/q-2;2*-1;2*-2;;;;
InChIKeyZXZYXCBJHKHKLN-UHFFFAOYSA-N
XLogP-0.86
TPSA254.14 Ų
H-Bond Donors8
H-Bond Acceptors18
Rotatable Bonds29
Heavy Atoms54
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001806.86
LogP ≤ 5-0.86
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

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Related Compounds

bis(1-(2-hydroxyethoxy)-3-methanidyloxypropan-2-ol);1-[3-(2-hydroxy-3-methanidyloxypropoxy)propoxy]-3-methanidyloxypropan-2-ol;hexakis(rutherfordium)
CID 177273686
tris(1,3-dimethanidyloxypropan-2-ol);bis(1-[2-hydroxy-3-(2-hydroxyethoxy)propoxy]-3-methanidyloxypropan-2-ol);tetrakis(rutherfordium)
CID 177274089
1,8-bis[2-(2-hydroxyethoxy)ethoxy]octane-2,7-diol
CID 142397445
1-(2-hydroxyethoxy)-3-methanidyloxypropan-2-ol;1-methanidyloxy-4-(2-propoxyethoxy)butan-2-ol;rutherfordium
CID 177262277
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
bis(1-(2-hydroxyethoxy)-3-methanidyloxypropan-2-ol);bis(1-[3-(2-hydroxy-3-methanidyloxypropoxy)butan-2-yloxy]-3-methanidyloxypropan-2-ol);tris(rutherfordium)
CID 177273638
1,3-bis(3-hydroxy-4-methanidyloxybutoxy)butan-2-ol;3-(2-hydroxyethoxy)-1-methanidyloxybutan-2-ol;1-(2-hydroxyethoxy)-3-methanidyloxypropan-2-ol;bis(rutherfordium)
CID 177262254
2,2-bis(methanidyloxymethyl)propane-1,3-diol;bis(5-(2-hydroxy-3-methanidyloxypropoxy)pentane-1,4-diol);bis(rutherfordium)
CID 177273970
5-amino-1-(2-hydroxyethoxy)pentan-2-ol
CID 21493098
1-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]heptan-2-ol
CID 140523672
1-[3,5-bis(2,3-dihydroxy-4-methanidyloxybutoxy)cyclohexyl]oxy-4-methanidyloxybutane-2,3-diol;tris(1-(2-hydroxyethoxy)-3-methanidyloxypropan-2-ol);hexakis(rutherfordium)
CID 177274075
1-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-13-sulfanyltridecan-2-ol
CID 134163545

Frequently Asked Questions

What is the IUPAC name of 1,8-dimethanidyloxyoctane-2,7-diol;bis(1,3-dimethanidyloxypropan-2-ol);bis(1-(2-hydroxyethoxy)-3-methanidyloxypropan-2-ol);tetrakis(rutherfordium)?
The IUPAC name of 1,8-dimethanidyloxyoctane-2,7-diol;bis(1,3-dimethanidyloxypropan-2-ol);bis(1-(2-hydroxyethoxy)-3-methanidyloxypropan-2-ol);tetrakis(rutherfordium) (CID 177274110) is 1,8-dimethanidyloxyoctane-2,7-diol;bis(1,3-dimethanidyloxypropan-2-ol);bis(1-(2-hydroxyethoxy)-3-methanidyloxypropan-2-ol);tetrakis(rutherfordium).
What is the SMILES notation for 1,8-dimethanidyloxyoctane-2,7-diol;bis(1,3-dimethanidyloxypropan-2-ol);bis(1-(2-hydroxyethoxy)-3-methanidyloxypropan-2-ol);tetrakis(rutherfordium)?
The canonical SMILES for 1,8-dimethanidyloxyoctane-2,7-diol;bis(1,3-dimethanidyloxypropan-2-ol);bis(1-(2-hydroxyethoxy)-3-methanidyloxypropan-2-ol);tetrakis(rutherfordium) is [CH2-]OCC(O)CCCCC(O)CO[CH2-].[CH2-]OCC(O)COCCO.[CH2-]OCC(O)COCCO.[CH2-]OCC(O)CO[CH2-].[CH2-]OCC(O)CO[CH2-].[Rf].[Rf].[Rf].[Rf].
What is the InChIKey of 1,8-dimethanidyloxyoctane-2,7-diol;bis(1,3-dimethanidyloxypropan-2-ol);bis(1-(2-hydroxyethoxy)-3-methanidyloxypropan-2-ol);tetrakis(rutherfordium)?
The InChIKey is ZXZYXCBJHKHKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O4.2C6H13O4.2C5H10O3.4Rf/c1-13-7-9(11)5-3-4-6-10(12)8-14-2;2*1-9-4-6(8)5-10-3-2-7;2*1-7-3-5(6)4-8-2;;;;/h9-12H,1-8H2;2*6-8H,1-5H2;2*5-6H,1-4H2;;;;/q-2;2*-1;2*-2;;;;.
What are the key properties of 1,8-dimethanidyloxyoctane-2,7-diol;bis(1,3-dimethanidyloxypropan-2-ol);bis(1-(2-hydroxyethoxy)-3-methanidyloxypropan-2-ol);tetrakis(rutherfordium)?
1,8-dimethanidyloxyoctane-2,7-diol;bis(1,3-dimethanidyloxypropan-2-ol);bis(1-(2-hydroxyethoxy)-3-methanidyloxypropan-2-ol);tetrakis(rutherfordium) has a molecular weight of 1806.86 g/mol, XLogP of -0.86, 29 rotatable bonds, 8 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-dimethanidyloxyoctane-2,7-diol;bis(1,3-dimethanidyloxypropan-2-ol);bis(1-(2-hydroxyethoxy)-3-methanidyloxypropan-2-ol);tetrakis(rutherfordium) is sourced from PubChem (CID 177274110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).