1,1,2,2-tetradeuterioethane-1,2-diol

C2H6O2 — CID 2733137

IUPAC1,1,2,2-tetradeuterioethane-1,2-diol
SMILES[2H]C([2H])(O)C([2H])([2H])O
InChIInChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2/i1D2,2D2
InChIKeyLYCAIKOWRPUZTN-LNLMKGTHSA-N
MW66.09 g/mol
LogP-1.03
Rot. Bonds1

About 1,1,2,2-tetradeuterioethane-1,2-diol

1,1,2,2-tetradeuterioethane-1,2-diol (PubChem CID 2733137) has the molecular formula C2H6O2 and a molecular weight of 66.09 g/mol. Its IUPAC name is 1,1,2,2-tetradeuterioethane-1,2-diol.

Molecular Properties

Compound Name1,1,2,2-tetradeuterioethane-1,2-diol
PubChem CID2733137
Molecular FormulaC2H6O2
Molecular Weight66.09 g/mol
Exact Mass66.06
IUPAC Name1,1,2,2-tetradeuterioethane-1,2-diol
SMILES[2H]C([2H])(O)C([2H])([2H])O
InChIInChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2/i1D2,2D2
InChIKeyLYCAIKOWRPUZTN-LNLMKGTHSA-N
XLogP-1.03
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50066.09
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-tetradeuterioethane-1,2-diol?
The IUPAC name of 1,1,2,2-tetradeuterioethane-1,2-diol (CID 2733137) is 1,1,2,2-tetradeuterioethane-1,2-diol.
What is the SMILES notation for 1,1,2,2-tetradeuterioethane-1,2-diol?
The canonical SMILES for 1,1,2,2-tetradeuterioethane-1,2-diol is [2H]C([2H])(O)C([2H])([2H])O.
What is the InChIKey of 1,1,2,2-tetradeuterioethane-1,2-diol?
The InChIKey is LYCAIKOWRPUZTN-LNLMKGTHSA-N. The full InChI is InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2/i1D2,2D2.
What are the key properties of 1,1,2,2-tetradeuterioethane-1,2-diol?
1,1,2,2-tetradeuterioethane-1,2-diol has a molecular weight of 66.09 g/mol, XLogP of -1.03, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2-tetradeuterioethane-1,2-diol is sourced from PubChem (CID 2733137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).