2-[chloro(oxo)phosphaniumyl]oxyethyl-trimethylazanium

C5H13ClNO2P+2 — CID 91359871

IUPAC2-[chloro(oxo)phosphaniumyl]oxyethyl-trimethylazanium
SMILESC[N+](C)(C)CCO[P+](=O)Cl
InChIInChI=1S/C5H13ClNO2P/c1-7(2,3)4-5-9-10(6)8/h4-5H2,1-3H3/q+2
InChIKeyXINGHJWXIQUJLF-UHFFFAOYSA-N
MW185.59 g/mol
LogP1.61
Rot. Bonds4

About 2-[chloro(oxo)phosphaniumyl]oxyethyl-trimethylazanium

2-[chloro(oxo)phosphaniumyl]oxyethyl-trimethylazanium (PubChem CID 91359871) has the molecular formula C5H13ClNO2P+2 and a molecular weight of 185.59 g/mol. Its IUPAC name is 2-[chloro(oxo)phosphaniumyl]oxyethyl-trimethylazanium.

Molecular Properties

Compound Name2-[chloro(oxo)phosphaniumyl]oxyethyl-trimethylazanium
PubChem CID91359871
Molecular FormulaC5H13ClNO2P+2
Molecular Weight185.59 g/mol
Exact Mass185.04
IUPAC Name2-[chloro(oxo)phosphaniumyl]oxyethyl-trimethylazanium
SMILESC[N+](C)(C)CCO[P+](=O)Cl
InChIInChI=1S/C5H13ClNO2P/c1-7(2,3)4-5-9-10(6)8/h4-5H2,1-3H3/q+2
InChIKeyXINGHJWXIQUJLF-UHFFFAOYSA-N
XLogP1.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.59
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

trimethyl-[2-[oxo-[2-(trimethylazaniumyl)ethoxy]phosphaniumyl]oxyethyl]azanium
CID 135354704
2-[hydroxy(oxo)phosphaniumyl]oxyethyl-trimethylazanium
CID 19977615
tris(2-hydroxyethyl)-[2-[oxo-[2-(trimethylazaniumyl)ethoxy]phosphaniumyl]oxyethyl]azanium
CID 129235384
2-[hexoxy(oxo)phosphaniumyl]oxyethyl-trimethylazanium
CID 174865096
2-[dodecyl(oxo)phosphaniumyl]oxyethyl-trimethylazanium
CID 20977395
2-[(E)-ethylidene(oxido)phosphaniumyl]oxyethyl-trimethylazanium
CID 155047773
2-aminooxyethyl(trimethyl)azanium iodide
CID 70673690
2-hydroperoxyethyl(trimethyl)azanium;sulfane
CID 174916235
2-methoxyethyl(trimethyl)azanium chloride
CID 23352174
trimethyl-[2-[2-[2-(trimethylazaniumyl)ethoxy]ethoxy]ethyl]azanium;hydrochloride
CID 174841287
2-[4-but-2-enoyloxybutoxy(oxo)phosphaniumyl]oxyethyl-trimethylazanium
CID 174446270
CID 57226222
CID 57226222

Frequently Asked Questions

What is the IUPAC name of 2-[chloro(oxo)phosphaniumyl]oxyethyl-trimethylazanium?
The IUPAC name of 2-[chloro(oxo)phosphaniumyl]oxyethyl-trimethylazanium (CID 91359871) is 2-[chloro(oxo)phosphaniumyl]oxyethyl-trimethylazanium.
What is the SMILES notation for 2-[chloro(oxo)phosphaniumyl]oxyethyl-trimethylazanium?
The canonical SMILES for 2-[chloro(oxo)phosphaniumyl]oxyethyl-trimethylazanium is C[N+](C)(C)CCO[P+](=O)Cl.
What is the InChIKey of 2-[chloro(oxo)phosphaniumyl]oxyethyl-trimethylazanium?
The InChIKey is XINGHJWXIQUJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13ClNO2P/c1-7(2,3)4-5-9-10(6)8/h4-5H2,1-3H3/q+2.
What are the key properties of 2-[chloro(oxo)phosphaniumyl]oxyethyl-trimethylazanium?
2-[chloro(oxo)phosphaniumyl]oxyethyl-trimethylazanium has a molecular weight of 185.59 g/mol, XLogP of 1.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[chloro(oxo)phosphaniumyl]oxyethyl-trimethylazanium is sourced from PubChem (CID 91359871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).