hydroxy ethaneperoxoate;titanium

C2H4O4Ti — CID 88636548

IUPAChydroxy ethaneperoxoate;titanium
SMILESCC(=O)OOO.[Ti]
InChIInChI=1S/C2H4O4.Ti/c1-2(3)5-6-4;/h4H,1H3;
InChIKeyNVZNVPBIDXYTSX-UHFFFAOYSA-N
MW139.92 g/mol
LogP-0.05
Rot. Bonds1

About hydroxy ethaneperoxoate;titanium

hydroxy ethaneperoxoate;titanium (PubChem CID 88636548) has the molecular formula C2H4O4Ti and a molecular weight of 139.92 g/mol. Its IUPAC name is hydroxy ethaneperoxoate;titanium.

Molecular Properties

Compound Namehydroxy ethaneperoxoate;titanium
PubChem CID88636548
Molecular FormulaC2H4O4Ti
Molecular Weight139.92 g/mol
Exact Mass139.96
IUPAC Namehydroxy ethaneperoxoate;titanium
SMILESCC(=O)OOO.[Ti]
InChIInChI=1S/C2H4O4.Ti/c1-2(3)5-6-4;/h4H,1H3;
InChIKeyNVZNVPBIDXYTSX-UHFFFAOYSA-N
XLogP-0.05
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.92
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

acetyl ethaneperoxoate;propan-2-one
CID 21225532
acetyl ethaneperoxoate;rhodium
CID 175911498
acetyl ethaneperoxoate;ethane
CID 91004145
acetyloxyperoxy ethaneperoxoate
CID 171629895
methyl acetate;titanium
CID 87665287
CID 87069860
CID 87069860
aluminum ethaneperoxoic acid
CID 22172567
ethaneperoxoic acid;yttrium
CID 88646363
λ2-plumbane;methyl ethaneperoxoate
CID 173188596
methane;methyl ethaneperoxoate
CID 158693501
bis(acetylperoxy)boranyl ethaneperoxoate
CID 86757842
ethaneperoxoic acid;methoxymethane
CID 87834215

Frequently Asked Questions

What is the IUPAC name of hydroxy ethaneperoxoate;titanium?
The IUPAC name of hydroxy ethaneperoxoate;titanium (CID 88636548) is hydroxy ethaneperoxoate;titanium.
What is the SMILES notation for hydroxy ethaneperoxoate;titanium?
The canonical SMILES for hydroxy ethaneperoxoate;titanium is CC(=O)OOO.[Ti].
What is the InChIKey of hydroxy ethaneperoxoate;titanium?
The InChIKey is NVZNVPBIDXYTSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O4.Ti/c1-2(3)5-6-4;/h4H,1H3;.
What are the key properties of hydroxy ethaneperoxoate;titanium?
hydroxy ethaneperoxoate;titanium has a molecular weight of 139.92 g/mol, XLogP of -0.05, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy ethaneperoxoate;titanium is sourced from PubChem (CID 88636548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).