tetrakis(methoxymethyl)azanium

C8H20NO4+ — CID 87276932

IUPACtetrakis(methoxymethyl)azanium
SMILESCOC[N+](COC)(COC)COC
InChIInChI=1S/C8H20NO4/c1-10-5-9(6-11-2,7-12-3)8-13-4/h5-8H2,1-4H3/q+1
InChIKeyMRJHHWFGBWWABT-UHFFFAOYSA-N
MW194.25 g/mol
LogP0.22
Rot. Bonds8

About tetrakis(methoxymethyl)azanium

tetrakis(methoxymethyl)azanium (PubChem CID 87276932) has the molecular formula C8H20NO4+ and a molecular weight of 194.25 g/mol. Its IUPAC name is tetrakis(methoxymethyl)azanium.

Molecular Properties

Compound Nametetrakis(methoxymethyl)azanium
PubChem CID87276932
Molecular FormulaC8H20NO4+
Molecular Weight194.25 g/mol
Exact Mass194.14
IUPAC Nametetrakis(methoxymethyl)azanium
SMILESCOC[N+](COC)(COC)COC
InChIInChI=1S/C8H20NO4/c1-10-5-9(6-11-2,7-12-3)8-13-4/h5-8H2,1-4H3/q+1
InChIKeyMRJHHWFGBWWABT-UHFFFAOYSA-N
XLogP0.22
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tetrakis(methoxymethyl)azanium?
The IUPAC name of tetrakis(methoxymethyl)azanium (CID 87276932) is tetrakis(methoxymethyl)azanium.
What is the SMILES notation for tetrakis(methoxymethyl)azanium?
The canonical SMILES for tetrakis(methoxymethyl)azanium is COC[N+](COC)(COC)COC.
What is the InChIKey of tetrakis(methoxymethyl)azanium?
The InChIKey is MRJHHWFGBWWABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20NO4/c1-10-5-9(6-11-2,7-12-3)8-13-4/h5-8H2,1-4H3/q+1.
What are the key properties of tetrakis(methoxymethyl)azanium?
tetrakis(methoxymethyl)azanium has a molecular weight of 194.25 g/mol, XLogP of 0.22, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(methoxymethyl)azanium is sourced from PubChem (CID 87276932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).