1,1,2,2-tetradeuterio-1,2-bis(trideuteriomethoxy)ethane

C4H10O2 — CID 117065518

IUPAC1,1,2,2-tetradeuterio-1,2-bis(trideuteriomethoxy)ethane
SMILES[2H]C([2H])([2H])OC([2H])([2H])C([2H])([2H])OC([2H])([2H])[2H]
InChIInChI=1S/C4H10O2/c1-5-3-4-6-2/h3-4H2,1-2H3/i1D3,2D3,3D2,4D2
InChIKeyXTHFKEDIFFGKHM-MWUKXHIBSA-N
MW100.18 g/mol
LogP0.28
Rot. Bonds5

About 1,1,2,2-tetradeuterio-1,2-bis(trideuteriomethoxy)ethane

1,1,2,2-tetradeuterio-1,2-bis(trideuteriomethoxy)ethane (PubChem CID 117065518) has the molecular formula C4H10O2 and a molecular weight of 100.18 g/mol. Its IUPAC name is 1,1,2,2-tetradeuterio-1,2-bis(trideuteriomethoxy)ethane.

Molecular Properties

Compound Name1,1,2,2-tetradeuterio-1,2-bis(trideuteriomethoxy)ethane
PubChem CID117065518
Molecular FormulaC4H10O2
Molecular Weight100.18 g/mol
Exact Mass100.13
IUPAC Name1,1,2,2-tetradeuterio-1,2-bis(trideuteriomethoxy)ethane
SMILES[2H]C([2H])([2H])OC([2H])([2H])C([2H])([2H])OC([2H])([2H])[2H]
InChIInChI=1S/C4H10O2/c1-5-3-4-6-2/h3-4H2,1-2H3/i1D3,2D3,3D2,4D2
InChIKeyXTHFKEDIFFGKHM-MWUKXHIBSA-N
XLogP0.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.18
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2-tetradeuterio-1,2-bis(trideuteriomethoxy)ethane?
The IUPAC name of 1,1,2,2-tetradeuterio-1,2-bis(trideuteriomethoxy)ethane (CID 117065518) is 1,1,2,2-tetradeuterio-1,2-bis(trideuteriomethoxy)ethane.
What is the SMILES notation for 1,1,2,2-tetradeuterio-1,2-bis(trideuteriomethoxy)ethane?
The canonical SMILES for 1,1,2,2-tetradeuterio-1,2-bis(trideuteriomethoxy)ethane is [2H]C([2H])([2H])OC([2H])([2H])C([2H])([2H])OC([2H])([2H])[2H].
What is the InChIKey of 1,1,2,2-tetradeuterio-1,2-bis(trideuteriomethoxy)ethane?
The InChIKey is XTHFKEDIFFGKHM-MWUKXHIBSA-N. The full InChI is InChI=1S/C4H10O2/c1-5-3-4-6-2/h3-4H2,1-2H3/i1D3,2D3,3D2,4D2.
What are the key properties of 1,1,2,2-tetradeuterio-1,2-bis(trideuteriomethoxy)ethane?
1,1,2,2-tetradeuterio-1,2-bis(trideuteriomethoxy)ethane has a molecular weight of 100.18 g/mol, XLogP of 0.28, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2-tetradeuterio-1,2-bis(trideuteriomethoxy)ethane is sourced from PubChem (CID 117065518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).