trideuterio(hydroperoxy)methane

CH4O2 — CID 91277401

IUPACtrideuterio(hydroperoxy)methane
SMILES[2H]C([2H])([2H])OO
InChIInChI=1S/CH4O2/c1-3-2/h2H,1H3/i1D3
InChIKeyMEUKEBNAABNAEX-FIBGUPNXSA-N
MW51.06 g/mol
LogP0.11
Rot. Bonds1

About trideuterio(hydroperoxy)methane

trideuterio(hydroperoxy)methane (PubChem CID 91277401) has the molecular formula CH4O2 and a molecular weight of 51.06 g/mol. Its IUPAC name is trideuterio(hydroperoxy)methane.

Molecular Properties

Compound Nametrideuterio(hydroperoxy)methane
PubChem CID91277401
Molecular FormulaCH4O2
Molecular Weight51.06 g/mol
Exact Mass51.04
IUPAC Nametrideuterio(hydroperoxy)methane
SMILES[2H]C([2H])([2H])OO
InChIInChI=1S/CH4O2/c1-3-2/h2H,1H3/i1D3
InChIKeyMEUKEBNAABNAEX-FIBGUPNXSA-N
XLogP0.11
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms3
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50051.06
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trideuterio(hydroperoxy)methane?
The IUPAC name of trideuterio(hydroperoxy)methane (CID 91277401) is trideuterio(hydroperoxy)methane.
What is the SMILES notation for trideuterio(hydroperoxy)methane?
The canonical SMILES for trideuterio(hydroperoxy)methane is [2H]C([2H])([2H])OO.
What is the InChIKey of trideuterio(hydroperoxy)methane?
The InChIKey is MEUKEBNAABNAEX-FIBGUPNXSA-N. The full InChI is InChI=1S/CH4O2/c1-3-2/h2H,1H3/i1D3.
What are the key properties of trideuterio(hydroperoxy)methane?
trideuterio(hydroperoxy)methane has a molecular weight of 51.06 g/mol, XLogP of 0.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trideuterio(hydroperoxy)methane is sourced from PubChem (CID 91277401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).