1,1-dideuterio-2-[1,1,2,2-tetradeuterio-2-(2,2-dideuterio-2-hydroxyethoxy)ethoxy]ethanol

C6H14O4 — CID 100996608

IUPAC1,1-dideuterio-2-[1,1,2,2-tetradeuterio-2-(2,2-dideuterio-2-hydroxyethoxy)ethoxy]ethanol
SMILES[2H]C([2H])(O)COC([2H])([2H])C([2H])([2H])OCC([2H])([2H])O
InChIInChI=1S/C6H14O4/c7-1-3-9-5-6-10-4-2-8/h7-8H,1-6H2/i1D2,2D2,5D2,6D2
InChIKeyZIBGPFATKBEMQZ-WYNDGVHTSA-N
MW158.22 g/mol
LogP-1.00
Rot. Bonds7

About 1,1-dideuterio-2-[1,1,2,2-tetradeuterio-2-(2,2-dideuterio-2-hydroxyethoxy)ethoxy]ethanol

1,1-dideuterio-2-[1,1,2,2-tetradeuterio-2-(2,2-dideuterio-2-hydroxyethoxy)ethoxy]ethanol (PubChem CID 100996608) has the molecular formula C6H14O4 and a molecular weight of 158.22 g/mol. Its IUPAC name is 1,1-dideuterio-2-[1,1,2,2-tetradeuterio-2-(2,2-dideuterio-2-hydroxyethoxy)ethoxy]ethanol.

Molecular Properties

Compound Name1,1-dideuterio-2-[1,1,2,2-tetradeuterio-2-(2,2-dideuterio-2-hydroxyethoxy)ethoxy]ethanol
PubChem CID100996608
Molecular FormulaC6H14O4
Molecular Weight158.22 g/mol
Exact Mass158.14
IUPAC Name1,1-dideuterio-2-[1,1,2,2-tetradeuterio-2-(2,2-dideuterio-2-hydroxyethoxy)ethoxy]ethanol
SMILES[2H]C([2H])(O)COC([2H])([2H])C([2H])([2H])OCC([2H])([2H])O
InChIInChI=1S/C6H14O4/c7-1-3-9-5-6-10-4-2-8/h7-8H,1-6H2/i1D2,2D2,5D2,6D2
InChIKeyZIBGPFATKBEMQZ-WYNDGVHTSA-N
XLogP-1.00
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.22
LogP ≤ 5-1.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1,1-dideuterio-2-[1,1,2,2-tetradeuterio-2-(2,2-dideuterio-2-hydroxyethoxy)ethoxy]ethanol with MolForge

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Related Compounds

1,1,2,2-tetradeuterio-2-[2-[2-(1,1,2,2-tetradeuterio-2-hydroxyethoxy)ethoxy]ethoxy]ethanol
CID 162642367
2-(1,1,2,2,3,3,4,4,4-nonadeuteriobutoxy)ethanol
CID 169435198
2-bromo-1,1,3,3-tetradeuteriopropane-1,3-diol
CID 71314276
hydroxymethoxymethanol;methane
CID 157392016
azane;hydroxymethoxymethanol
CID 174600745
deuteriomethane;2-(2-hydroxyethoxy)ethanol
CID 86287438
2-[2-[2-[2-[2-[2-[2-[2-[(2S)-2,3-bis[(7S,11S)-3,7,11,15-tetramethylhexadecoxy]propoxy]-1,1,2,2-tetradeuterioethoxy]-1,1,2,2-tetradeuterioethoxy]-1,1,2,2-tetradeuterioethoxy]-1,1,2,2-tetradeuterioethoxy]-1,1,2,2-tetradeuterioethoxy]-1,1,2,2-tetradeuterioethoxy]-1,1,2,2-tetradeuterioethoxy]-1,1,2,2-tetradeuterioethanol
CID 24806917
2-(2-hydroxyethoxy)ethanol;dihydrate
CID 22572092
hydroxymethoxymethoxymethanol;methane
CID 160891594
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 14619695
2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 17472
CID 159345993
CID 159345993

Frequently Asked Questions

What is the IUPAC name of 1,1-dideuterio-2-[1,1,2,2-tetradeuterio-2-(2,2-dideuterio-2-hydroxyethoxy)ethoxy]ethanol?
The IUPAC name of 1,1-dideuterio-2-[1,1,2,2-tetradeuterio-2-(2,2-dideuterio-2-hydroxyethoxy)ethoxy]ethanol (CID 100996608) is 1,1-dideuterio-2-[1,1,2,2-tetradeuterio-2-(2,2-dideuterio-2-hydroxyethoxy)ethoxy]ethanol.
What is the SMILES notation for 1,1-dideuterio-2-[1,1,2,2-tetradeuterio-2-(2,2-dideuterio-2-hydroxyethoxy)ethoxy]ethanol?
The canonical SMILES for 1,1-dideuterio-2-[1,1,2,2-tetradeuterio-2-(2,2-dideuterio-2-hydroxyethoxy)ethoxy]ethanol is [2H]C([2H])(O)COC([2H])([2H])C([2H])([2H])OCC([2H])([2H])O.
What is the InChIKey of 1,1-dideuterio-2-[1,1,2,2-tetradeuterio-2-(2,2-dideuterio-2-hydroxyethoxy)ethoxy]ethanol?
The InChIKey is ZIBGPFATKBEMQZ-WYNDGVHTSA-N. The full InChI is InChI=1S/C6H14O4/c7-1-3-9-5-6-10-4-2-8/h7-8H,1-6H2/i1D2,2D2,5D2,6D2.
What are the key properties of 1,1-dideuterio-2-[1,1,2,2-tetradeuterio-2-(2,2-dideuterio-2-hydroxyethoxy)ethoxy]ethanol?
1,1-dideuterio-2-[1,1,2,2-tetradeuterio-2-(2,2-dideuterio-2-hydroxyethoxy)ethoxy]ethanol has a molecular weight of 158.22 g/mol, XLogP of -1.00, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dideuterio-2-[1,1,2,2-tetradeuterio-2-(2,2-dideuterio-2-hydroxyethoxy)ethoxy]ethanol is sourced from PubChem (CID 100996608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).