methane;methoxymethyl-[[methoxy(methyl)phosphoryl]oxymethyl]-dimethylazanium

C8H23NO4P+ — CID 158769019

IUPACmethane;methoxymethyl-[[methoxy(methyl)phosphoryl]oxymethyl]-dimethylazanium
SMILESC.COC[N+](C)(C)COP(C)(=O)OC
InChIInChI=1S/C7H19NO4P.CH4/c1-8(2,6-10-3)7-12-13(5,9)11-4;/h6-7H2,1-5H3;1H4/q+1;
InChIKeyIPQBVOJTHVGNOF-UHFFFAOYSA-N
MW228.25 g/mol
LogP1.75
Rot. Bonds6

About methane;methoxymethyl-[[methoxy(methyl)phosphoryl]oxymethyl]-dimethylazanium

methane;methoxymethyl-[[methoxy(methyl)phosphoryl]oxymethyl]-dimethylazanium (PubChem CID 158769019) has the molecular formula C8H23NO4P+ and a molecular weight of 228.25 g/mol. Its IUPAC name is methane;methoxymethyl-[[methoxy(methyl)phosphoryl]oxymethyl]-dimethylazanium.

Molecular Properties

Compound Namemethane;methoxymethyl-[[methoxy(methyl)phosphoryl]oxymethyl]-dimethylazanium
PubChem CID158769019
Molecular FormulaC8H23NO4P+
Molecular Weight228.25 g/mol
Exact Mass228.14
IUPAC Namemethane;methoxymethyl-[[methoxy(methyl)phosphoryl]oxymethyl]-dimethylazanium
SMILESC.COC[N+](C)(C)COP(C)(=O)OC
InChIInChI=1S/C7H19NO4P.CH4/c1-8(2,6-10-3)7-12-13(5,9)11-4;/h6-7H2,1-5H3;1H4/q+1;
InChIKeyIPQBVOJTHVGNOF-UHFFFAOYSA-N
XLogP1.75
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 51.75
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': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

methane;methoxymethyl-[[methoxy(methyl)phosphoryl]oxymethyl]-dimethylazanium;vanadium
CID 158643863
1,2-bis[[methoxy(methyl)phosphoryl]oxy]ethane
CID 18714474
methane;[methoxy(methyl)phosphoryl]oxymethane
CID 161343110
1-[methoxy(methyl)phosphoryl]oxy-2,2-dimethylpropane
CID 91752261
CID 57459832
CID 57459832
ethyl-[[hydroxy(methoxy)phosphoryl]oxymethyl]-dimethylazanium
CID 58545238
1-[methoxy(methyl)phosphoryl]oxypropan-2-ol
CID 14451329
3-ethyl-3-[[methoxy(methyl)phosphoryl]oxymethyl]pentane
CID 126496979
methoxymethyl-dimethyl-propylazanium
CID 87334195
diethyl [methoxy(methyl)phosphoryl] phosphate
CID 162624062
1-[methoxy(methyl)phosphoryl]oxypentan-2-one
CID 88842238
3-[methoxy(methyl)phosphoryl]oxy-2-methylpropanoic acid
CID 126576964

Frequently Asked Questions

What is the IUPAC name of methane;methoxymethyl-[[methoxy(methyl)phosphoryl]oxymethyl]-dimethylazanium?
The IUPAC name of methane;methoxymethyl-[[methoxy(methyl)phosphoryl]oxymethyl]-dimethylazanium (CID 158769019) is methane;methoxymethyl-[[methoxy(methyl)phosphoryl]oxymethyl]-dimethylazanium.
What is the SMILES notation for methane;methoxymethyl-[[methoxy(methyl)phosphoryl]oxymethyl]-dimethylazanium?
The canonical SMILES for methane;methoxymethyl-[[methoxy(methyl)phosphoryl]oxymethyl]-dimethylazanium is C.COC[N+](C)(C)COP(C)(=O)OC.
What is the InChIKey of methane;methoxymethyl-[[methoxy(methyl)phosphoryl]oxymethyl]-dimethylazanium?
The InChIKey is IPQBVOJTHVGNOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H19NO4P.CH4/c1-8(2,6-10-3)7-12-13(5,9)11-4;/h6-7H2,1-5H3;1H4/q+1;.
What are the key properties of methane;methoxymethyl-[[methoxy(methyl)phosphoryl]oxymethyl]-dimethylazanium?
methane;methoxymethyl-[[methoxy(methyl)phosphoryl]oxymethyl]-dimethylazanium has a molecular weight of 228.25 g/mol, XLogP of 1.75, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methane;methoxymethyl-[[methoxy(methyl)phosphoryl]oxymethyl]-dimethylazanium is sourced from PubChem (CID 158769019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).