hydroperoxy-methoxy-dimethylazanium

C3H10NO3+ — CID 71775763

IUPAChydroperoxy-methoxy-dimethylazanium
SMILESCO[N+](C)(C)OO
InChIInChI=1S/C3H9NO3/c1-4(2,6-3)7-5/h1-3H3/p+1
InChIKeyYDSRKVOQIAPXKG-UHFFFAOYSA-O
MW108.12 g/mol
LogP0.03
Rot. Bonds2

About hydroperoxy-methoxy-dimethylazanium

hydroperoxy-methoxy-dimethylazanium (PubChem CID 71775763) has the molecular formula C3H10NO3+ and a molecular weight of 108.12 g/mol. Its IUPAC name is hydroperoxy-methoxy-dimethylazanium.

Molecular Properties

Compound Namehydroperoxy-methoxy-dimethylazanium
PubChem CID71775763
Molecular FormulaC3H10NO3+
Molecular Weight108.12 g/mol
Exact Mass108.07
IUPAC Namehydroperoxy-methoxy-dimethylazanium
SMILESCO[N+](C)(C)OO
InChIInChI=1S/C3H9NO3/c1-4(2,6-3)7-5/h1-3H3/p+1
InChIKeyYDSRKVOQIAPXKG-UHFFFAOYSA-O
XLogP0.03
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.12
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of hydroperoxy-methoxy-dimethylazanium?
The IUPAC name of hydroperoxy-methoxy-dimethylazanium (CID 71775763) is hydroperoxy-methoxy-dimethylazanium.
What is the SMILES notation for hydroperoxy-methoxy-dimethylazanium?
The canonical SMILES for hydroperoxy-methoxy-dimethylazanium is CO[N+](C)(C)OO.
What is the InChIKey of hydroperoxy-methoxy-dimethylazanium?
The InChIKey is YDSRKVOQIAPXKG-UHFFFAOYSA-O. The full InChI is InChI=1S/C3H9NO3/c1-4(2,6-3)7-5/h1-3H3/p+1.
What are the key properties of hydroperoxy-methoxy-dimethylazanium?
hydroperoxy-methoxy-dimethylazanium has a molecular weight of 108.12 g/mol, XLogP of 0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydroperoxy-methoxy-dimethylazanium is sourced from PubChem (CID 71775763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).