1,1,2,2-tetradeuterio-1-[1,1,2,2-tetradeuterio-2-(trideuteriomethoxy)ethoxy]-2-(trideuteriomethoxy)ethane

C6H14O3 — CID 90471891

IUPAC1,1,2,2-tetradeuterio-1-[1,1,2,2-tetradeuterio-2-(trideuteriomethoxy)ethoxy]-2-(trideuteriomethoxy)ethane
SMILES[2H]C([2H])([2H])OC([2H])([2H])C([2H])([2H])OC([2H])([2H])C([2H])([2H])OC([2H])([2H])[2H]
InChIInChI=1S/C6H14O3/c1-7-3-5-9-6-4-8-2/h3-6H2,1-2H3/i1D3,2D3,3D2,4D2,5D2,6D2
InChIKeySBZXBUIDTXKZTM-ZLKPZJALSA-N
MW148.26 g/mol
LogP0.30
Rot. Bonds8

About 1,1,2,2-tetradeuterio-1-[1,1,2,2-tetradeuterio-2-(trideuteriomethoxy)ethoxy]-2-(trideuteriomethoxy)ethane

1,1,2,2-tetradeuterio-1-[1,1,2,2-tetradeuterio-2-(trideuteriomethoxy)ethoxy]-2-(trideuteriomethoxy)ethane (PubChem CID 90471891) has the molecular formula C6H14O3 and a molecular weight of 148.26 g/mol. Its IUPAC name is 1,1,2,2-tetradeuterio-1-[1,1,2,2-tetradeuterio-2-(trideuteriomethoxy)ethoxy]-2-(trideuteriomethoxy)ethane.

Molecular Properties

Compound Name1,1,2,2-tetradeuterio-1-[1,1,2,2-tetradeuterio-2-(trideuteriomethoxy)ethoxy]-2-(trideuteriomethoxy)ethane
PubChem CID90471891
Molecular FormulaC6H14O3
Molecular Weight148.26 g/mol
Exact Mass148.18
IUPAC Name1,1,2,2-tetradeuterio-1-[1,1,2,2-tetradeuterio-2-(trideuteriomethoxy)ethoxy]-2-(trideuteriomethoxy)ethane
SMILES[2H]C([2H])([2H])OC([2H])([2H])C([2H])([2H])OC([2H])([2H])C([2H])([2H])OC([2H])([2H])[2H]
InChIInChI=1S/C6H14O3/c1-7-3-5-9-6-4-8-2/h3-6H2,1-2H3/i1D3,2D3,3D2,4D2,5D2,6D2
InChIKeySBZXBUIDTXKZTM-ZLKPZJALSA-N
XLogP0.30
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.26
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2-tetradeuterio-1-[1,1,2,2-tetradeuterio-2-(trideuteriomethoxy)ethoxy]-2-(trideuteriomethoxy)ethane?
The IUPAC name of 1,1,2,2-tetradeuterio-1-[1,1,2,2-tetradeuterio-2-(trideuteriomethoxy)ethoxy]-2-(trideuteriomethoxy)ethane (CID 90471891) is 1,1,2,2-tetradeuterio-1-[1,1,2,2-tetradeuterio-2-(trideuteriomethoxy)ethoxy]-2-(trideuteriomethoxy)ethane.
What is the SMILES notation for 1,1,2,2-tetradeuterio-1-[1,1,2,2-tetradeuterio-2-(trideuteriomethoxy)ethoxy]-2-(trideuteriomethoxy)ethane?
The canonical SMILES for 1,1,2,2-tetradeuterio-1-[1,1,2,2-tetradeuterio-2-(trideuteriomethoxy)ethoxy]-2-(trideuteriomethoxy)ethane is [2H]C([2H])([2H])OC([2H])([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-[1,1,2,2-tetradeuterio-2-(trideuteriomethoxy)ethoxy]-2-(trideuteriomethoxy)ethane?
The InChIKey is SBZXBUIDTXKZTM-ZLKPZJALSA-N. The full InChI is InChI=1S/C6H14O3/c1-7-3-5-9-6-4-8-2/h3-6H2,1-2H3/i1D3,2D3,3D2,4D2,5D2,6D2.
What are the key properties of 1,1,2,2-tetradeuterio-1-[1,1,2,2-tetradeuterio-2-(trideuteriomethoxy)ethoxy]-2-(trideuteriomethoxy)ethane?
1,1,2,2-tetradeuterio-1-[1,1,2,2-tetradeuterio-2-(trideuteriomethoxy)ethoxy]-2-(trideuteriomethoxy)ethane has a molecular weight of 148.26 g/mol, XLogP of 0.30, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2-tetradeuterio-1-[1,1,2,2-tetradeuterio-2-(trideuteriomethoxy)ethoxy]-2-(trideuteriomethoxy)ethane is sourced from PubChem (CID 90471891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).