1,1,2,2-tetradeuterio-1,2-dideuteriooxyethane

C2H6O2 — CID 2733139

IUPAC1,1,2,2-tetradeuterio-1,2-dideuteriooxyethane
SMILES[2H]OC([2H])([2H])C([2H])([2H])O[2H]
InChIInChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2/i1D2,2D2,3D,4D
InChIKeyLYCAIKOWRPUZTN-UFSLNRCZSA-N
MW68.10 g/mol
LogP-1.03
Rot. Bonds3

About 1,1,2,2-tetradeuterio-1,2-dideuteriooxyethane

1,1,2,2-tetradeuterio-1,2-dideuteriooxyethane (PubChem CID 2733139) has the molecular formula C2H6O2 and a molecular weight of 68.10 g/mol. Its IUPAC name is 1,1,2,2-tetradeuterio-1,2-dideuteriooxyethane.

Molecular Properties

Compound Name1,1,2,2-tetradeuterio-1,2-dideuteriooxyethane
PubChem CID2733139
Molecular FormulaC2H6O2
Molecular Weight68.10 g/mol
Exact Mass68.07
IUPAC Name1,1,2,2-tetradeuterio-1,2-dideuteriooxyethane
SMILES[2H]OC([2H])([2H])C([2H])([2H])O[2H]
InChIInChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2/i1D2,2D2,3D,4D
InChIKeyLYCAIKOWRPUZTN-UFSLNRCZSA-N
XLogP-1.03
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50068.10
LogP ≤ 5-1.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2-tetradeuterio-1,2-dideuteriooxyethane?
The IUPAC name of 1,1,2,2-tetradeuterio-1,2-dideuteriooxyethane (CID 2733139) is 1,1,2,2-tetradeuterio-1,2-dideuteriooxyethane.
What is the SMILES notation for 1,1,2,2-tetradeuterio-1,2-dideuteriooxyethane?
The canonical SMILES for 1,1,2,2-tetradeuterio-1,2-dideuteriooxyethane is [2H]OC([2H])([2H])C([2H])([2H])O[2H].
What is the InChIKey of 1,1,2,2-tetradeuterio-1,2-dideuteriooxyethane?
The InChIKey is LYCAIKOWRPUZTN-UFSLNRCZSA-N. The full InChI is InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2/i1D2,2D2,3D,4D.
What are the key properties of 1,1,2,2-tetradeuterio-1,2-dideuteriooxyethane?
1,1,2,2-tetradeuterio-1,2-dideuteriooxyethane has a molecular weight of 68.10 g/mol, XLogP of -1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2-tetradeuterio-1,2-dideuteriooxyethane is sourced from PubChem (CID 2733139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).