hydroperoxymethane;titanium

CH4O2Ti — CID 59301912

IUPAChydroperoxymethane;titanium
SMILESCOO.[Ti]
InChIInChI=1S/CH4O2.Ti/c1-3-2;/h2H,1H3;
InChIKeyRJSQVYQHTJWFFC-UHFFFAOYSA-N
MW95.91 g/mol
LogP0.10
Rot. Bonds

About hydroperoxymethane;titanium

hydroperoxymethane;titanium (PubChem CID 59301912) has the molecular formula CH4O2Ti and a molecular weight of 95.91 g/mol. Its IUPAC name is hydroperoxymethane;titanium.

Molecular Properties

Compound Namehydroperoxymethane;titanium
PubChem CID59301912
Molecular FormulaCH4O2Ti
Molecular Weight95.91 g/mol
Exact Mass95.97
IUPAC Namehydroperoxymethane;titanium
SMILESCOO.[Ti]
InChIInChI=1S/CH4O2.Ti/c1-3-2;/h2H,1H3;
InChIKeyRJSQVYQHTJWFFC-UHFFFAOYSA-N
XLogP0.10
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.91
LogP ≤ 50.10
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;titanium?
The IUPAC name of hydroperoxymethane;titanium (CID 59301912) is hydroperoxymethane;titanium.
What is the SMILES notation for hydroperoxymethane;titanium?
The canonical SMILES for hydroperoxymethane;titanium is COO.[Ti].
What is the InChIKey of hydroperoxymethane;titanium?
The InChIKey is RJSQVYQHTJWFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4O2.Ti/c1-3-2;/h2H,1H3;.
What are the key properties of hydroperoxymethane;titanium?
hydroperoxymethane;titanium has a molecular weight of 95.91 g/mol, XLogP of 0.10, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydroperoxymethane;titanium is sourced from PubChem (CID 59301912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).