deuterio(hydroperoxy)methane

CH4O2 — CID 172555930

IUPACdeuterio(hydroperoxy)methane
SMILES[2H]COO
InChIInChI=1S/CH4O2/c1-3-2/h2H,1H3/i1D
InChIKeyMEUKEBNAABNAEX-MICDWDOJSA-N
MW49.05 g/mol
LogP0.11
Rot. Bonds1

About deuterio(hydroperoxy)methane

deuterio(hydroperoxy)methane (PubChem CID 172555930) has the molecular formula CH4O2 and a molecular weight of 49.05 g/mol. Its IUPAC name is deuterio(hydroperoxy)methane.

Molecular Properties

Compound Namedeuterio(hydroperoxy)methane
PubChem CID172555930
Molecular FormulaCH4O2
Molecular Weight49.05 g/mol
Exact Mass49.03
IUPAC Namedeuterio(hydroperoxy)methane
SMILES[2H]COO
InChIInChI=1S/CH4O2/c1-3-2/h2H,1H3/i1D
InChIKeyMEUKEBNAABNAEX-MICDWDOJSA-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 ≤ 50049.05
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 deuterio(hydroperoxy)methane?
The IUPAC name of deuterio(hydroperoxy)methane (CID 172555930) is deuterio(hydroperoxy)methane.
What is the SMILES notation for deuterio(hydroperoxy)methane?
The canonical SMILES for deuterio(hydroperoxy)methane is [2H]COO.
What is the InChIKey of deuterio(hydroperoxy)methane?
The InChIKey is MEUKEBNAABNAEX-MICDWDOJSA-N. The full InChI is InChI=1S/CH4O2/c1-3-2/h2H,1H3/i1D.
What are the key properties of deuterio(hydroperoxy)methane?
deuterio(hydroperoxy)methane has a molecular weight of 49.05 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 deuterio(hydroperoxy)methane is sourced from PubChem (CID 172555930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).