2-[2-[2-(hydroxymethyl)-3-methanidyloxy-2-methylpropoxy]ethoxymethyl]-3-methanidyloxy-2-methylpropan-1-ol;methane;bis(rutherfordium)

C21H56O6Rf2-2 — CID 161265782

IUPAC2-[2-[2-(hydroxymethyl)-3-methanidyloxy-2-methylpropoxy]ethoxymethyl]-3-methanidyloxy-2-methylpropan-1-ol;methane;bis(rutherfordium)
SMILESC.C.C.C.C.C.C.[CH2-]OCC(C)(CO)COCCOCC(C)(CO)CO[CH2-].[Rf].[Rf]
InChIInChI=1S/C14H28O6.7CH4.2Rf/c1-13(7-15,9-17-3)11-19-5-6-20-12-14(2,8-16)10-18-4;;;;;;;;;/h15-16H,3-12H2,1-2H3;7*1H4;;/q-2;;;;;;;;;
InChIKeyJSEHWAIIBABYPI-UHFFFAOYSA-N
MW938.67 g/mol
LogP5.09
Rot. Bonds13

About 2-[2-[2-(hydroxymethyl)-3-methanidyloxy-2-methylpropoxy]ethoxymethyl]-3-methanidyloxy-2-methylpropan-1-ol;methane;bis(rutherfordium)

2-[2-[2-(hydroxymethyl)-3-methanidyloxy-2-methylpropoxy]ethoxymethyl]-3-methanidyloxy-2-methylpropan-1-ol;methane;bis(rutherfordium) (PubChem CID 161265782) has the molecular formula C21H56O6Rf2-2 and a molecular weight of 938.67 g/mol. Its IUPAC name is 2-[2-[2-(hydroxymethyl)-3-methanidyloxy-2-methylpropoxy]ethoxymethyl]-3-methanidyloxy-2-methylpropan-1-ol;methane;bis(rutherfordium).

Molecular Properties

Compound Name2-[2-[2-(hydroxymethyl)-3-methanidyloxy-2-methylpropoxy]ethoxymethyl]-3-methanidyloxy-2-methylpropan-1-ol;methane;bis(rutherfordium)
PubChem CID161265782
Molecular FormulaC21H56O6Rf2-2
Molecular Weight938.67 g/mol
Exact Mass938.65
IUPAC Name2-[2-[2-(hydroxymethyl)-3-methanidyloxy-2-methylpropoxy]ethoxymethyl]-3-methanidyloxy-2-methylpropan-1-ol;methane;bis(rutherfordium)
SMILESC.C.C.C.C.C.C.[CH2-]OCC(C)(CO)COCCOCC(C)(CO)CO[CH2-].[Rf].[Rf]
InChIInChI=1S/C14H28O6.7CH4.2Rf/c1-13(7-15,9-17-3)11-19-5-6-20-12-14(2,8-16)10-18-4;;;;;;;;;/h15-16H,3-12H2,1-2H3;7*1H4;;/q-2;;;;;;;;;
InChIKeyJSEHWAIIBABYPI-UHFFFAOYSA-N
XLogP5.09
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500938.67
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

2-[2-[2-(hydroxymethyl)-2-methylbutoxy]ethoxymethyl]-2-methylbutan-1-ol;methane
CID 158118632
azanium;[2-(hydroxymethyl)-3-methanidyloxy-2-methylpropyl] sulfate;bis(rutherfordium)
CID 159123534
3-[3-(3-hydroxypropoxy)-2-(3-hydroxypropoxymethyl)-2-methylpropoxy]propan-1-ol
CID 10517899
2,4-dimethyl-2-(propoxymethyl)pentan-1-ol
CID 91196537
2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol;2-(hydroxymethyl)-2-methylpropane-1,3-diol
CID 161328567
2-methyl-2-(prop-2-enoxymethyl)butane-1,4-diol
CID 139805885
2-(hydroxymethyl)-2-methylpropane-1,3-diol
CID 118432348
2-(2,2-dimethylpropyl)-2-[2-[2-[2-(2,2-dimethylpropyl)-2-(hydroxymethyl)-4,4-dimethylpentoxy]ethoxy]ethoxymethyl]-4,4-dimethylpentan-1-ol
CID 58734105
2-[[3-[2-(hydroxymethyl)-2-methyl-3-(2,2,3,3,3-pentafluoropropoxy)propoxy]-2,2-dimethylpropoxy]methyl]-2-methyl-3-(2,2,3,3,3-pentafluoropropoxy)propan-1-ol
CID 88552328
2-(ethoxymethyl)-2-ethylpropane-1,3-diol;2-(ethoxymethyl)-2-methylpropane-1,3-diol;methane
CID 160847365
2-(6-azidohexoxymethyl)-2-methylpropane-1,3-diol
CID 102452687
2-[[3-[2-(hydroxymethyl)-2-methyl-3-(2,2,3,3,3-pentafluoropropoxy)propoxy]-2,2-dimethylpropoxy]methyl]-2-methyl-3-(2,2,3,3,3-pentafluoropropoxy)propan-1-ol;2-[[3-[2-(hydroxymethyl)-2-methyl-3-(2,2,2-trifluoroethoxy)propoxy]-2,2-dimethylpropoxy]methyl]-2-methyl-3-(2,2,2-trifluoroethoxy)propan-1-ol;methane;2-(3,3,4,4,4-pentafluorobutoxy)ethanol
CID 158339898

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(hydroxymethyl)-3-methanidyloxy-2-methylpropoxy]ethoxymethyl]-3-methanidyloxy-2-methylpropan-1-ol;methane;bis(rutherfordium)?
The IUPAC name of 2-[2-[2-(hydroxymethyl)-3-methanidyloxy-2-methylpropoxy]ethoxymethyl]-3-methanidyloxy-2-methylpropan-1-ol;methane;bis(rutherfordium) (CID 161265782) is 2-[2-[2-(hydroxymethyl)-3-methanidyloxy-2-methylpropoxy]ethoxymethyl]-3-methanidyloxy-2-methylpropan-1-ol;methane;bis(rutherfordium).
What is the SMILES notation for 2-[2-[2-(hydroxymethyl)-3-methanidyloxy-2-methylpropoxy]ethoxymethyl]-3-methanidyloxy-2-methylpropan-1-ol;methane;bis(rutherfordium)?
The canonical SMILES for 2-[2-[2-(hydroxymethyl)-3-methanidyloxy-2-methylpropoxy]ethoxymethyl]-3-methanidyloxy-2-methylpropan-1-ol;methane;bis(rutherfordium) is C.C.C.C.C.C.C.[CH2-]OCC(C)(CO)COCCOCC(C)(CO)CO[CH2-].[Rf].[Rf].
What is the InChIKey of 2-[2-[2-(hydroxymethyl)-3-methanidyloxy-2-methylpropoxy]ethoxymethyl]-3-methanidyloxy-2-methylpropan-1-ol;methane;bis(rutherfordium)?
The InChIKey is JSEHWAIIBABYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O6.7CH4.2Rf/c1-13(7-15,9-17-3)11-19-5-6-20-12-14(2,8-16)10-18-4;;;;;;;;;/h15-16H,3-12H2,1-2H3;7*1H4;;/q-2;;;;;;;;;.
What are the key properties of 2-[2-[2-(hydroxymethyl)-3-methanidyloxy-2-methylpropoxy]ethoxymethyl]-3-methanidyloxy-2-methylpropan-1-ol;methane;bis(rutherfordium)?
2-[2-[2-(hydroxymethyl)-3-methanidyloxy-2-methylpropoxy]ethoxymethyl]-3-methanidyloxy-2-methylpropan-1-ol;methane;bis(rutherfordium) has a molecular weight of 938.67 g/mol, XLogP of 5.09, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(hydroxymethyl)-3-methanidyloxy-2-methylpropoxy]ethoxymethyl]-3-methanidyloxy-2-methylpropan-1-ol;methane;bis(rutherfordium) is sourced from PubChem (CID 161265782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).