2-[methoxy(propoxy)phosphoryl]oxyethyl-trimethylazanium

C9H23NO4P+ — CID 163641809

IUPAC2-[methoxy(propoxy)phosphoryl]oxyethyl-trimethylazanium
SMILESCCCOP(=O)(OC)OCC[N+](C)(C)C
InChIInChI=1S/C9H23NO4P/c1-6-8-13-15(11,12-5)14-9-7-10(2,3)4/h6-9H2,1-5H3/q+1
InChIKeyIEWKTTOYBYRVDW-UHFFFAOYSA-N
MW240.26 g/mol
LogP1.89
Rot. Bonds8

About 2-[methoxy(propoxy)phosphoryl]oxyethyl-trimethylazanium

2-[methoxy(propoxy)phosphoryl]oxyethyl-trimethylazanium (PubChem CID 163641809) has the molecular formula C9H23NO4P+ and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-[methoxy(propoxy)phosphoryl]oxyethyl-trimethylazanium.

Molecular Properties

Compound Name2-[methoxy(propoxy)phosphoryl]oxyethyl-trimethylazanium
PubChem CID163641809
Molecular FormulaC9H23NO4P+
Molecular Weight240.26 g/mol
Exact Mass240.14
IUPAC Name2-[methoxy(propoxy)phosphoryl]oxyethyl-trimethylazanium
SMILESCCCOP(=O)(OC)OCC[N+](C)(C)C
InChIInChI=1S/C9H23NO4P/c1-6-8-13-15(11,12-5)14-9-7-10(2,3)4/h6-9H2,1-5H3/q+1
InChIKeyIEWKTTOYBYRVDW-UHFFFAOYSA-N
XLogP1.89
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

ethane;2-[methoxy(propoxy)phosphoryl]oxyethyl-trimethylazanium
CID 176693760
2-[methoxy(2-methoxyethoxy)phosphoryl]oxyethyl-trimethylazanium
CID 174291074
2-[methoxy-[16-[methoxy-[2-(trimethylazaniumyl)ethoxy]phosphoryl]oxyhexadecoxy]phosphoryl]oxyethyl-trimethylazanium
CID 121392301
2-[3-decanoyloxypropoxy(methoxy)phosphoryl]oxyethyl-trimethylazanium
CID 168891190
ethane;2-[hydroxy(methoxy)phosphoryl]oxyethyl-trimethylazanium
CID 176693850
methyl 2-(trimethylazaniumyl)ethyl phosphate;molecular iodine
CID 159899690
trimethyl-[2-[[propoxy-[2-(trimethylazaniumyl)ethylamino]phosphoryl]amino]ethyl]azanium dibromide
CID 29468
hexadecyl-[(1S,2R)-2-[methoxy-[2-(trimethylazaniumyl)ethoxy]phosphoryl]oxycyclopentyl]-dimethylazanium
CID 121392300
2-[2,3-di(octadecanoyloxy)propoxy-methoxyphosphoryl]oxyethyl-trimethylazanium
CID 123521812
2-[[2-butoxy-3-(dodecanoylamino)propoxy]-methoxyphosphoryl]oxyethyl-trimethylazanium
CID 59547823
disodium;2-(trimethylazaniumyl)ethyl phosphate;chloride
CID 171699407
2-[methoxy-(4-methoxycarbonylphenoxy)phosphoryl]oxyethyl-trimethylazanium
CID 130350541

Frequently Asked Questions

What is the IUPAC name of 2-[methoxy(propoxy)phosphoryl]oxyethyl-trimethylazanium?
The IUPAC name of 2-[methoxy(propoxy)phosphoryl]oxyethyl-trimethylazanium (CID 163641809) is 2-[methoxy(propoxy)phosphoryl]oxyethyl-trimethylazanium.
What is the SMILES notation for 2-[methoxy(propoxy)phosphoryl]oxyethyl-trimethylazanium?
The canonical SMILES for 2-[methoxy(propoxy)phosphoryl]oxyethyl-trimethylazanium is CCCOP(=O)(OC)OCC[N+](C)(C)C.
What is the InChIKey of 2-[methoxy(propoxy)phosphoryl]oxyethyl-trimethylazanium?
The InChIKey is IEWKTTOYBYRVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H23NO4P/c1-6-8-13-15(11,12-5)14-9-7-10(2,3)4/h6-9H2,1-5H3/q+1.
What are the key properties of 2-[methoxy(propoxy)phosphoryl]oxyethyl-trimethylazanium?
2-[methoxy(propoxy)phosphoryl]oxyethyl-trimethylazanium has a molecular weight of 240.26 g/mol, XLogP of 1.89, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methoxy(propoxy)phosphoryl]oxyethyl-trimethylazanium is sourced from PubChem (CID 163641809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).