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

C4H10O2 — CID 158613397

IUPAC1,1,2,2-tetradeuterio-1-methoxy-2-(trideuteriomethoxy)ethane
SMILES[2H]C([2H])([2H])OC([2H])([2H])C([2H])([2H])OC
InChIInChI=1S/C4H10O2/c1-5-3-4-6-2/h3-4H2,1-2H3/i1D3,3D2,4D2
InChIKeyXTHFKEDIFFGKHM-SSQNFVSCSA-N
MW97.16 g/mol
LogP0.28
Rot. Bonds4

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

1,1,2,2-tetradeuterio-1-methoxy-2-(trideuteriomethoxy)ethane (PubChem CID 158613397) has the molecular formula C4H10O2 and a molecular weight of 97.16 g/mol. Its IUPAC name is 1,1,2,2-tetradeuterio-1-methoxy-2-(trideuteriomethoxy)ethane.

Molecular Properties

Compound Name1,1,2,2-tetradeuterio-1-methoxy-2-(trideuteriomethoxy)ethane
PubChem CID158613397
Molecular FormulaC4H10O2
Molecular Weight97.16 g/mol
Exact Mass97.11
IUPAC Name1,1,2,2-tetradeuterio-1-methoxy-2-(trideuteriomethoxy)ethane
SMILES[2H]C([2H])([2H])OC([2H])([2H])C([2H])([2H])OC
InChIInChI=1S/C4H10O2/c1-5-3-4-6-2/h3-4H2,1-2H3/i1D3,3D2,4D2
InChIKeyXTHFKEDIFFGKHM-SSQNFVSCSA-N
XLogP0.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.16
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-methoxy-3-(trideuteriomethoxy)propan-2-ol
CID 138753644
CID 59101658
CID 59101658
(2S)-3-(trideuteriomethoxy)propane-1,2-diol
CID 164541909
1,1,2,2-tetradeuterio-2-(trideuteriomethoxy)ethanol;[1,1,2,2-tetradeuterio-2-(trideuteriomethoxy)ethyl] 4-methylbenzenesulfonate
CID 167570210
ethane;methoxyethane;2-methylpropane
CID 144654475
(2R)-1-sulfanyl-3-(trideuteriomethoxy)propan-2-ol
CID 164541980
trifluoro(trideuteriomethoxymethyl)boranuide
CID 162342217
methane;methoxyethane
CID 158573885
methoxyethane;hydroiodide
CID 162009435
2-(trideuteriomethoxy)acetaldehyde
CID 163228356
(2R,3S,4R,5R)-4,5-dihydroxy-3-methoxy-2,6-bis(trideuteriomethoxy)hexanal
CID 88673792
CID 59269731
CID 59269731

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2-tetradeuterio-1-methoxy-2-(trideuteriomethoxy)ethane?
The IUPAC name of 1,1,2,2-tetradeuterio-1-methoxy-2-(trideuteriomethoxy)ethane (CID 158613397) is 1,1,2,2-tetradeuterio-1-methoxy-2-(trideuteriomethoxy)ethane.
What is the SMILES notation for 1,1,2,2-tetradeuterio-1-methoxy-2-(trideuteriomethoxy)ethane?
The canonical SMILES for 1,1,2,2-tetradeuterio-1-methoxy-2-(trideuteriomethoxy)ethane is [2H]C([2H])([2H])OC([2H])([2H])C([2H])([2H])OC.
What is the InChIKey of 1,1,2,2-tetradeuterio-1-methoxy-2-(trideuteriomethoxy)ethane?
The InChIKey is XTHFKEDIFFGKHM-SSQNFVSCSA-N. The full InChI is InChI=1S/C4H10O2/c1-5-3-4-6-2/h3-4H2,1-2H3/i1D3,3D2,4D2.
What are the key properties of 1,1,2,2-tetradeuterio-1-methoxy-2-(trideuteriomethoxy)ethane?
1,1,2,2-tetradeuterio-1-methoxy-2-(trideuteriomethoxy)ethane has a molecular weight of 97.16 g/mol, XLogP of 0.28, 4 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-methoxy-2-(trideuteriomethoxy)ethane is sourced from PubChem (CID 158613397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).