2-(trideuteriomethoxy)acetaldehyde

C3H6O2 — CID 163228356

IUPAC2-(trideuteriomethoxy)acetaldehyde
SMILES[2H]C([2H])([2H])OCC=O
InChIInChI=1S/C3H6O2/c1-5-3-2-4/h2H,3H2,1H3/i1D3
InChIKeyYSEFYOVWKJXNCH-FIBGUPNXSA-N
MW77.10 g/mol
LogP-0.17
Rot. Bonds3

About 2-(trideuteriomethoxy)acetaldehyde

2-(trideuteriomethoxy)acetaldehyde (PubChem CID 163228356) has the molecular formula C3H6O2 and a molecular weight of 77.10 g/mol. Its IUPAC name is 2-(trideuteriomethoxy)acetaldehyde.

Molecular Properties

Compound Name2-(trideuteriomethoxy)acetaldehyde
PubChem CID163228356
Molecular FormulaC3H6O2
Molecular Weight77.10 g/mol
Exact Mass77.06
IUPAC Name2-(trideuteriomethoxy)acetaldehyde
SMILES[2H]C([2H])([2H])OCC=O
InChIInChI=1S/C3H6O2/c1-5-3-2-4/h2H,3H2,1H3/i1D3
InChIKeyYSEFYOVWKJXNCH-FIBGUPNXSA-N
XLogP-0.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50077.10
LogP ≤ 5-0.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

Methoxyacetaldehyde
CID 91563
Acetic acid, 2-oxo-, methyl ester
CID 70205
Ethoxyacetaldehyde
CID 89580
2,2'-Oxybisacetaldehyde
CID 81958
2-(Fluoromethoxy)acetaldehyde
CID 173621097
Methoxyacetyliron
CID 129817810
2-Methoxyacetaldehyde;ZINC
CID 57446911
Lanthanum;2-methoxyacetaldehyde
CID 57468249
Ethane;2-methanidyloxyacetaldehyde;yttrium
CID 58101885
2-Methoxyethanone;vanadium
CID 60038939
Ethane;2-methanidyloxyacetaldehyde;tungsten(2+)
CID 60081679
2-Methoxyacetaldehyde;titanium
CID 87066699

Frequently Asked Questions

What is the IUPAC name of 2-(trideuteriomethoxy)acetaldehyde?
The IUPAC name of 2-(trideuteriomethoxy)acetaldehyde (CID 163228356) is 2-(trideuteriomethoxy)acetaldehyde.
What is the SMILES notation for 2-(trideuteriomethoxy)acetaldehyde?
The canonical SMILES for 2-(trideuteriomethoxy)acetaldehyde is [2H]C([2H])([2H])OCC=O.
What is the InChIKey of 2-(trideuteriomethoxy)acetaldehyde?
The InChIKey is YSEFYOVWKJXNCH-FIBGUPNXSA-N. The full InChI is InChI=1S/C3H6O2/c1-5-3-2-4/h2H,3H2,1H3/i1D3.
What are the key properties of 2-(trideuteriomethoxy)acetaldehyde?
2-(trideuteriomethoxy)acetaldehyde has a molecular weight of 77.10 g/mol, XLogP of -0.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trideuteriomethoxy)acetaldehyde is sourced from PubChem (CID 163228356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).