dideuterio(hydroperoxy)methane

CH4O2 — CID 91372416

IUPACdideuterio(hydroperoxy)methane
SMILES[2H]C([2H])OO
InChIInChI=1S/CH4O2/c1-3-2/h2H,1H3/i1D2
InChIKeyMEUKEBNAABNAEX-DICFDUPASA-N
MW50.05 g/mol
LogP0.11
Rot. Bonds1

About dideuterio(hydroperoxy)methane

dideuterio(hydroperoxy)methane (PubChem CID 91372416) has the molecular formula CH4O2 and a molecular weight of 50.05 g/mol. Its IUPAC name is dideuterio(hydroperoxy)methane.

Molecular Properties

Compound Namedideuterio(hydroperoxy)methane
PubChem CID91372416
Molecular FormulaCH4O2
Molecular Weight50.05 g/mol
Exact Mass50.03
IUPAC Namedideuterio(hydroperoxy)methane
SMILES[2H]C([2H])OO
InChIInChI=1S/CH4O2/c1-3-2/h2H,1H3/i1D2
InChIKeyMEUKEBNAABNAEX-DICFDUPASA-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 ≤ 50050.05
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 dideuterio(hydroperoxy)methane?
The IUPAC name of dideuterio(hydroperoxy)methane (CID 91372416) is dideuterio(hydroperoxy)methane.
What is the SMILES notation for dideuterio(hydroperoxy)methane?
The canonical SMILES for dideuterio(hydroperoxy)methane is [2H]C([2H])OO.
What is the InChIKey of dideuterio(hydroperoxy)methane?
The InChIKey is MEUKEBNAABNAEX-DICFDUPASA-N. The full InChI is InChI=1S/CH4O2/c1-3-2/h2H,1H3/i1D2.
What are the key properties of dideuterio(hydroperoxy)methane?
dideuterio(hydroperoxy)methane has a molecular weight of 50.05 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 dideuterio(hydroperoxy)methane is sourced from PubChem (CID 91372416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).