ethyl-[[hydroxy(methoxy)phosphoryl]oxymethyl]-dimethylazanium

C6H17NO4P+ — CID 58545238

IUPACethyl-[[hydroxy(methoxy)phosphoryl]oxymethyl]-dimethylazanium
SMILESCC[N+](C)(C)COP(=O)(O)OC
InChIInChI=1S/C6H16NO4P/c1-5-7(2,3)6-11-12(8,9)10-4/h5-6H2,1-4H3/p+1
InChIKeyZXHMPXWGKDUNFF-UHFFFAOYSA-O
MW198.18 g/mol
LogP0.80
Rot. Bonds5

About ethyl-[[hydroxy(methoxy)phosphoryl]oxymethyl]-dimethylazanium

ethyl-[[hydroxy(methoxy)phosphoryl]oxymethyl]-dimethylazanium (PubChem CID 58545238) has the molecular formula C6H17NO4P+ and a molecular weight of 198.18 g/mol. Its IUPAC name is ethyl-[[hydroxy(methoxy)phosphoryl]oxymethyl]-dimethylazanium.

Molecular Properties

Compound Nameethyl-[[hydroxy(methoxy)phosphoryl]oxymethyl]-dimethylazanium
PubChem CID58545238
Molecular FormulaC6H17NO4P+
Molecular Weight198.18 g/mol
Exact Mass198.09
IUPAC Nameethyl-[[hydroxy(methoxy)phosphoryl]oxymethyl]-dimethylazanium
SMILESCC[N+](C)(C)COP(=O)(O)OC
InChIInChI=1S/C6H16NO4P/c1-5-7(2,3)6-11-12(8,9)10-4/h5-6H2,1-4H3/p+1
InChIKeyZXHMPXWGKDUNFF-UHFFFAOYSA-O
XLogP0.80
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

ethane;2-[hydroxy(methoxy)phosphoryl]oxyethyl-trimethylazanium
CID 176693850
3-[hydroxy(methoxy)phosphoryl]oxypropyl-trimethylazanium
CID 170122908
azane;dimethyl hydrogen phosphate;ethanol
CID 174156402
diethyl hydrogen phosphate;dimethyl hydrogen phosphate;dihydrochloride
CID 173401897
methyl octyl hydrogen phosphate
CID 13032455
methyl pentadecyl hydrogen phosphate
CID 175295583
methyl 2-propoxyethyl hydrogen phosphate
CID 87066021
tris(dimethyl hydrogen phosphate);titanium
CID 131876605
dimethyl hydrogen phosphate;methane
CID 88807117
dimethyl hydrogen phosphate;heptahydrate
CID 175149976
diethyl hydrogen phosphate;sulfane
CID 88774651
azane;methyl octyl hydrogen phosphate
CID 175087561

Frequently Asked Questions

What is the IUPAC name of ethyl-[[hydroxy(methoxy)phosphoryl]oxymethyl]-dimethylazanium?
The IUPAC name of ethyl-[[hydroxy(methoxy)phosphoryl]oxymethyl]-dimethylazanium (CID 58545238) is ethyl-[[hydroxy(methoxy)phosphoryl]oxymethyl]-dimethylazanium.
What is the SMILES notation for ethyl-[[hydroxy(methoxy)phosphoryl]oxymethyl]-dimethylazanium?
The canonical SMILES for ethyl-[[hydroxy(methoxy)phosphoryl]oxymethyl]-dimethylazanium is CC[N+](C)(C)COP(=O)(O)OC.
What is the InChIKey of ethyl-[[hydroxy(methoxy)phosphoryl]oxymethyl]-dimethylazanium?
The InChIKey is ZXHMPXWGKDUNFF-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H16NO4P/c1-5-7(2,3)6-11-12(8,9)10-4/h5-6H2,1-4H3/p+1.
What are the key properties of ethyl-[[hydroxy(methoxy)phosphoryl]oxymethyl]-dimethylazanium?
ethyl-[[hydroxy(methoxy)phosphoryl]oxymethyl]-dimethylazanium has a molecular weight of 198.18 g/mol, XLogP of 0.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-[[hydroxy(methoxy)phosphoryl]oxymethyl]-dimethylazanium is sourced from PubChem (CID 58545238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).