[methoxy-[2-(methoxymethyl)butoxy]phosphoryl]oxymethylazanium

C8H21NO5P+ — CID 54539585

IUPAC[methoxy-[2-(methoxymethyl)butoxy]phosphoryl]oxymethylazanium
SMILESCCC(COC)COP(=O)(OC)OC[NH3+]
InChIInChI=1S/C8H20NO5P/c1-4-8(5-11-2)6-13-15(10,12-3)14-7-9/h8H,4-7,9H2,1-3H3/p+1
InChIKeyZCEVHYPUUMXIOM-UHFFFAOYSA-O
MW242.23 g/mol
LogP0.65
Rot. Bonds9

About [methoxy-[2-(methoxymethyl)butoxy]phosphoryl]oxymethylazanium

[methoxy-[2-(methoxymethyl)butoxy]phosphoryl]oxymethylazanium (PubChem CID 54539585) has the molecular formula C8H21NO5P+ and a molecular weight of 242.23 g/mol. Its IUPAC name is [methoxy-[2-(methoxymethyl)butoxy]phosphoryl]oxymethylazanium.

Molecular Properties

Compound Name[methoxy-[2-(methoxymethyl)butoxy]phosphoryl]oxymethylazanium
PubChem CID54539585
Molecular FormulaC8H21NO5P+
Molecular Weight242.23 g/mol
Exact Mass242.12
IUPAC Name[methoxy-[2-(methoxymethyl)butoxy]phosphoryl]oxymethylazanium
SMILESCCC(COC)COP(=O)(OC)OC[NH3+]
InChIInChI=1S/C8H20NO5P/c1-4-8(5-11-2)6-13-15(10,12-3)14-7-9/h8H,4-7,9H2,1-3H3/p+1
InChIKeyZCEVHYPUUMXIOM-UHFFFAOYSA-O
XLogP0.65
TPSA81.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

aminomethyl 2-(methoxymethyl)butyl methyl phosphate
CID 54539586
1-methoxy-2-(methoxymethyl)butane
CID 23295181
[(4Z,7Z,10Z,13Z,16Z,19Z)-2-ethyldocosa-4,7,10,13,16,19-hexaenyl] dimethyl phosphate
CID 89228265
(4-methoxy-3-methylbutyl) dimethyl phosphate
CID 134463907
azaniumylmethyl 2-(propanoyloxymethyl)butyl phosphate;methane
CID 158496106
4-ethyl-1-methoxy-2-(methoxymethyl)hexane
CID 174960180
butyl hexadecyl methyl phosphate;trimethylazanium
CID 145097672
2-[2-(2-methoxyethoxy)ethoxy]ethyl dimethyl phosphate
CID 140898366
2-[bis(2-ethylhexoxy)phosphoryloxy]ethyl 2-methylprop-2-enoate
CID 139937953
bis[bis(2-ethylhexoxy)phosphoryloxy]indiganyl bis(2-ethylhexyl) phosphate
CID 16704221
2-[methoxy(2-methoxyethoxy)phosphoryl]oxyethyl-trimethylazanium
CID 174291074
bis(3-chloro-2-hydroxypropyl) methyl phosphate
CID 167583670

Frequently Asked Questions

What is the IUPAC name of [methoxy-[2-(methoxymethyl)butoxy]phosphoryl]oxymethylazanium?
The IUPAC name of [methoxy-[2-(methoxymethyl)butoxy]phosphoryl]oxymethylazanium (CID 54539585) is [methoxy-[2-(methoxymethyl)butoxy]phosphoryl]oxymethylazanium.
What is the SMILES notation for [methoxy-[2-(methoxymethyl)butoxy]phosphoryl]oxymethylazanium?
The canonical SMILES for [methoxy-[2-(methoxymethyl)butoxy]phosphoryl]oxymethylazanium is CCC(COC)COP(=O)(OC)OC[NH3+].
What is the InChIKey of [methoxy-[2-(methoxymethyl)butoxy]phosphoryl]oxymethylazanium?
The InChIKey is ZCEVHYPUUMXIOM-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H20NO5P/c1-4-8(5-11-2)6-13-15(10,12-3)14-7-9/h8H,4-7,9H2,1-3H3/p+1.
What are the key properties of [methoxy-[2-(methoxymethyl)butoxy]phosphoryl]oxymethylazanium?
[methoxy-[2-(methoxymethyl)butoxy]phosphoryl]oxymethylazanium has a molecular weight of 242.23 g/mol, XLogP of 0.65, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [methoxy-[2-(methoxymethyl)butoxy]phosphoryl]oxymethylazanium is sourced from PubChem (CID 54539585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).