hydroperoxymethane;hydrate

CH6O3 — CID 173102382

IUPAChydroperoxymethane;hydrate
SMILESCOO.O
InChIInChI=1S/CH4O2.H2O/c1-3-2;/h2H,1H3;1H2
InChIKeyBLNFMVXZALARIB-UHFFFAOYSA-N
MW66.06 g/mol
LogP-0.72
Rot. Bonds

About hydroperoxymethane;hydrate

hydroperoxymethane;hydrate (PubChem CID 173102382) has the molecular formula CH6O3 and a molecular weight of 66.06 g/mol. Its IUPAC name is hydroperoxymethane;hydrate.

Molecular Properties

Compound Namehydroperoxymethane;hydrate
PubChem CID173102382
Molecular FormulaCH6O3
Molecular Weight66.06 g/mol
Exact Mass66.03
IUPAC Namehydroperoxymethane;hydrate
SMILESCOO.O
InChIInChI=1S/CH4O2.H2O/c1-3-2;/h2H,1H3;1H2
InChIKeyBLNFMVXZALARIB-UHFFFAOYSA-N
XLogP-0.72
TPSA60.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50066.06
LogP ≤ 5-0.72
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 hydroperoxymethane;hydrate?
The IUPAC name of hydroperoxymethane;hydrate (CID 173102382) is hydroperoxymethane;hydrate.
What is the SMILES notation for hydroperoxymethane;hydrate?
The canonical SMILES for hydroperoxymethane;hydrate is COO.O.
What is the InChIKey of hydroperoxymethane;hydrate?
The InChIKey is BLNFMVXZALARIB-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4O2.H2O/c1-3-2;/h2H,1H3;1H2.
What are the key properties of hydroperoxymethane;hydrate?
hydroperoxymethane;hydrate has a molecular weight of 66.06 g/mol, XLogP of -0.72, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydroperoxymethane;hydrate is sourced from PubChem (CID 173102382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).