2,2,2-trideuterioethanol

C2H6O — CID 519451

IUPAC2,2,2-trideuterioethanol
SMILES[2H]C([2H])([2H])CO
InChIInChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3/i1D3
InChIKeyLFQSCWFLJHTTHZ-FIBGUPNXSA-N
MW49.09 g/mol
LogP-0.00
Rot. Bonds1

About 2,2,2-trideuterioethanol

2,2,2-trideuterioethanol (PubChem CID 519451) has the molecular formula C2H6O and a molecular weight of 49.09 g/mol. Its IUPAC name is 2,2,2-trideuterioethanol.

Molecular Properties

Compound Name2,2,2-trideuterioethanol
PubChem CID519451
Molecular FormulaC2H6O
Molecular Weight49.09 g/mol
Exact Mass49.06
IUPAC Name2,2,2-trideuterioethanol
SMILES[2H]C([2H])([2H])CO
InChIInChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3/i1D3
InChIKeyLFQSCWFLJHTTHZ-FIBGUPNXSA-N
XLogP-0.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms3
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50049.09
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trideuterioethanol?
The IUPAC name of 2,2,2-trideuterioethanol (CID 519451) is 2,2,2-trideuterioethanol.
What is the SMILES notation for 2,2,2-trideuterioethanol?
The canonical SMILES for 2,2,2-trideuterioethanol is [2H]C([2H])([2H])CO.
What is the InChIKey of 2,2,2-trideuterioethanol?
The InChIKey is LFQSCWFLJHTTHZ-FIBGUPNXSA-N. The full InChI is InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3/i1D3.
What are the key properties of 2,2,2-trideuterioethanol?
2,2,2-trideuterioethanol has a molecular weight of 49.09 g/mol, XLogP of -0.00, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trideuterioethanol is sourced from PubChem (CID 519451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).