bis(1-(2-hydroxyethoxy)-3-methanidyloxypropan-2-ol);bis(1-[3-(2-hydroxy-3-methanidyloxypropoxy)butan-2-yloxy]-3-methanidyloxypropan-2-ol);tris(rutherfordium)

C36H74O20Rf3-6 — CID 177273638

IUPACbis(1-(2-hydroxyethoxy)-3-methanidyloxypropan-2-ol);bis(1-[3-(2-hydroxy-3-methanidyloxypropoxy)butan-2-yloxy]-3-methanidyloxypropan-2-ol);tris(rutherfordium)
SMILES[CH2-]OCC(O)COC(C)C(C)OCC(O)CO[CH2-].[CH2-]OCC(O)COC(C)C(C)OCC(O)CO[CH2-].[CH2-]OCC(O)COCCO.[CH2-]OCC(O)COCCO.[Rf].[Rf].[Rf]
InChIInChI=1S/2C12H24O6.2C6H13O4.3Rf/c2*1-9(17-7-11(13)5-15-3)10(2)18-8-12(14)6-16-4;2*1-9-4-6(8)5-10-3-2-7;;;/h2*9-14H,3-8H2,1-2H3;2*6-8H,1-5H2;;;/q2*-2;2*-1;;;
InChIKeyNTSCAVLODIKYKA-UHFFFAOYSA-N
MW1627.97 g/mol
LogP-1.40
Rot. Bonds34

About bis(1-(2-hydroxyethoxy)-3-methanidyloxypropan-2-ol);bis(1-[3-(2-hydroxy-3-methanidyloxypropoxy)butan-2-yloxy]-3-methanidyloxypropan-2-ol);tris(rutherfordium)

bis(1-(2-hydroxyethoxy)-3-methanidyloxypropan-2-ol);bis(1-[3-(2-hydroxy-3-methanidyloxypropoxy)butan-2-yloxy]-3-methanidyloxypropan-2-ol);tris(rutherfordium) (PubChem CID 177273638) has the molecular formula C36H74O20Rf3-6 and a molecular weight of 1627.97 g/mol. Its IUPAC name is bis(1-(2-hydroxyethoxy)-3-methanidyloxypropan-2-ol);bis(1-[3-(2-hydroxy-3-methanidyloxypropoxy)butan-2-yloxy]-3-methanidyloxypropan-2-ol);tris(rutherfordium).

Molecular Properties

Compound Namebis(1-(2-hydroxyethoxy)-3-methanidyloxypropan-2-ol);bis(1-[3-(2-hydroxy-3-methanidyloxypropoxy)butan-2-yloxy]-3-methanidyloxypropan-2-ol);tris(rutherfordium)
PubChem CID177273638
Molecular FormulaC36H74O20Rf3-6
Molecular Weight1627.97 g/mol
Exact Mass1627.85
IUPAC Namebis(1-(2-hydroxyethoxy)-3-methanidyloxypropan-2-ol);bis(1-[3-(2-hydroxy-3-methanidyloxypropoxy)butan-2-yloxy]-3-methanidyloxypropan-2-ol);tris(rutherfordium)
SMILES[CH2-]OCC(O)COC(C)C(C)OCC(O)CO[CH2-].[CH2-]OCC(O)COC(C)C(C)OCC(O)CO[CH2-].[CH2-]OCC(O)COCCO.[CH2-]OCC(O)COCCO.[Rf].[Rf].[Rf]
InChIInChI=1S/2C12H24O6.2C6H13O4.3Rf/c2*1-9(17-7-11(13)5-15-3)10(2)18-8-12(14)6-16-4;2*1-9-4-6(8)5-10-3-2-7;;;/h2*9-14H,3-8H2,1-2H3;2*6-8H,1-5H2;;;/q2*-2;2*-1;;;
InChIKeyNTSCAVLODIKYKA-UHFFFAOYSA-N
XLogP-1.40
TPSA272.60 Ų
H-Bond Donors8
H-Bond Acceptors20
Rotatable Bonds34
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001627.97
LogP ≤ 5-1.40
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1020

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

tris(1,3-dimethanidyloxypropan-2-ol);bis(1-[2-hydroxy-3-(2-hydroxyethoxy)propoxy]-3-methanidyloxypropan-2-ol);tetrakis(rutherfordium)
CID 177274089
bis(1-(2-hydroxyethoxy)-3-methanidyloxypropan-2-ol);1-[3-(2-hydroxy-3-methanidyloxypropoxy)propoxy]-3-methanidyloxypropan-2-ol;hexakis(rutherfordium)
CID 177273686
1,8-dimethanidyloxyoctane-2,7-diol;bis(1,3-dimethanidyloxypropan-2-ol);bis(1-(2-hydroxyethoxy)-3-methanidyloxypropan-2-ol);tetrakis(rutherfordium)
CID 177274110
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
1-(2-hydroxyethoxy)-3-methanidyloxypropan-2-ol;1-methanidyloxy-4-(2-propoxyethoxy)butan-2-ol;rutherfordium
CID 177262277
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-[3,5-bis(2,3-dihydroxy-4-methanidyloxybutoxy)cyclohexyl]oxy-4-methanidyloxybutane-2,3-diol;tris(1-[2-hydroxy-3-(2-hydroxyethoxy)propoxy]-3-methanidyloxypropan-2-ol);tris(rutherfordium)
CID 177274071
1-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-3-methoxypropan-2-ol
CID 88655335
1-(2-hydroxyethoxy)propan-2-ol
CID 19360868
4-amino-1-(2-hydroxyethoxy)pentan-2-ol
CID 158045647
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-dimethanidyloxypropan-2-ol;bis(3-(2-hydroxy-3-methanidyloxypropoxy)propanamide);hexakis(rutherfordium)
CID 172515714

Frequently Asked Questions

What is the IUPAC name of bis(1-(2-hydroxyethoxy)-3-methanidyloxypropan-2-ol);bis(1-[3-(2-hydroxy-3-methanidyloxypropoxy)butan-2-yloxy]-3-methanidyloxypropan-2-ol);tris(rutherfordium)?
The IUPAC name of 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) is bis(1-(2-hydroxyethoxy)-3-methanidyloxypropan-2-ol);bis(1-[3-(2-hydroxy-3-methanidyloxypropoxy)butan-2-yloxy]-3-methanidyloxypropan-2-ol);tris(rutherfordium).
What is the SMILES notation for bis(1-(2-hydroxyethoxy)-3-methanidyloxypropan-2-ol);bis(1-[3-(2-hydroxy-3-methanidyloxypropoxy)butan-2-yloxy]-3-methanidyloxypropan-2-ol);tris(rutherfordium)?
The canonical SMILES for bis(1-(2-hydroxyethoxy)-3-methanidyloxypropan-2-ol);bis(1-[3-(2-hydroxy-3-methanidyloxypropoxy)butan-2-yloxy]-3-methanidyloxypropan-2-ol);tris(rutherfordium) is [CH2-]OCC(O)COC(C)C(C)OCC(O)CO[CH2-].[CH2-]OCC(O)COC(C)C(C)OCC(O)CO[CH2-].[CH2-]OCC(O)COCCO.[CH2-]OCC(O)COCCO.[Rf].[Rf].[Rf].
What is the InChIKey of bis(1-(2-hydroxyethoxy)-3-methanidyloxypropan-2-ol);bis(1-[3-(2-hydroxy-3-methanidyloxypropoxy)butan-2-yloxy]-3-methanidyloxypropan-2-ol);tris(rutherfordium)?
The InChIKey is NTSCAVLODIKYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H24O6.2C6H13O4.3Rf/c2*1-9(17-7-11(13)5-15-3)10(2)18-8-12(14)6-16-4;2*1-9-4-6(8)5-10-3-2-7;;;/h2*9-14H,3-8H2,1-2H3;2*6-8H,1-5H2;;;/q2*-2;2*-1;;;.
What are the key properties of bis(1-(2-hydroxyethoxy)-3-methanidyloxypropan-2-ol);bis(1-[3-(2-hydroxy-3-methanidyloxypropoxy)butan-2-yloxy]-3-methanidyloxypropan-2-ol);tris(rutherfordium)?
bis(1-(2-hydroxyethoxy)-3-methanidyloxypropan-2-ol);bis(1-[3-(2-hydroxy-3-methanidyloxypropoxy)butan-2-yloxy]-3-methanidyloxypropan-2-ol);tris(rutherfordium) has a molecular weight of 1627.97 g/mol, XLogP of -1.40, 34 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-(2-hydroxyethoxy)-3-methanidyloxypropan-2-ol);bis(1-[3-(2-hydroxy-3-methanidyloxypropoxy)butan-2-yloxy]-3-methanidyloxypropan-2-ol);tris(rutherfordium) is sourced from PubChem (CID 177273638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).