2-[(E)-ethylidene(oxido)phosphaniumyl]oxyethyl-trimethylazanium

C7H17NO2P+ — CID 155047773

IUPAC2-[(E)-ethylidene(oxido)phosphaniumyl]oxyethyl-trimethylazanium
SMILESC/C=[P+](\[O-])OCC[N+](C)(C)C
InChIInChI=1S/C7H17NO2P/c1-5-11(9)10-7-6-8(2,3)4/h5H,6-7H2,1-4H3/q+1
InChIKeySEMNSQHQODBLRL-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.20
Rot. Bonds4

About 2-[(E)-ethylidene(oxido)phosphaniumyl]oxyethyl-trimethylazanium

2-[(E)-ethylidene(oxido)phosphaniumyl]oxyethyl-trimethylazanium (PubChem CID 155047773) has the molecular formula C7H17NO2P+ and a molecular weight of 178.19 g/mol. Its IUPAC name is 2-[(E)-ethylidene(oxido)phosphaniumyl]oxyethyl-trimethylazanium.

Molecular Properties

Compound Name2-[(E)-ethylidene(oxido)phosphaniumyl]oxyethyl-trimethylazanium
PubChem CID155047773
Molecular FormulaC7H17NO2P+
Molecular Weight178.19 g/mol
Exact Mass178.10
IUPAC Name2-[(E)-ethylidene(oxido)phosphaniumyl]oxyethyl-trimethylazanium
SMILESC/C=[P+](\[O-])OCC[N+](C)(C)C
InChIInChI=1S/C7H17NO2P/c1-5-11(9)10-7-6-8(2,3)4/h5H,6-7H2,1-4H3/q+1
InChIKeySEMNSQHQODBLRL-UHFFFAOYSA-N
XLogP0.20
TPSA32.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.20
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
CID 57226222
CID 57226222
2-[chloro(oxo)phosphaniumyl]oxyethyl-trimethylazanium
CID 91359871
2-[hydroxy(oxo)phosphaniumyl]oxyethyl-trimethylazanium
CID 19977615
trimethyl-[2-[2-[2-(trimethylazaniumyl)ethoxy]ethoxy]ethyl]azanium;hydrochloride
CID 174841287
tris(2-hydroxyethyl)-[2-[oxo-[2-(trimethylazaniumyl)ethoxy]phosphaniumyl]oxyethyl]azanium
CID 129235384
2-[hexoxy(oxo)phosphaniumyl]oxyethyl-trimethylazanium
CID 174865096
2-[4-but-2-enoyloxybutoxy(oxo)phosphaniumyl]oxyethyl-trimethylazanium
CID 174446270
2-ethoxyethyl(trimethyl)azanium;fluoromethane
CID 174704150
2-methoxyethyl(trimethyl)azanium chloride
CID 23352174
2-hydroperoxyethyl(trimethyl)azanium;sulfane
CID 174916235
prop-1-ene;trimethyl(2-pentoxyethyl)azanium;chloride
CID 174834513

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-ethylidene(oxido)phosphaniumyl]oxyethyl-trimethylazanium?
The IUPAC name of 2-[(E)-ethylidene(oxido)phosphaniumyl]oxyethyl-trimethylazanium (CID 155047773) is 2-[(E)-ethylidene(oxido)phosphaniumyl]oxyethyl-trimethylazanium.
What is the SMILES notation for 2-[(E)-ethylidene(oxido)phosphaniumyl]oxyethyl-trimethylazanium?
The canonical SMILES for 2-[(E)-ethylidene(oxido)phosphaniumyl]oxyethyl-trimethylazanium is C/C=[P+](\[O-])OCC[N+](C)(C)C.
What is the InChIKey of 2-[(E)-ethylidene(oxido)phosphaniumyl]oxyethyl-trimethylazanium?
The InChIKey is SEMNSQHQODBLRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO2P/c1-5-11(9)10-7-6-8(2,3)4/h5H,6-7H2,1-4H3/q+1.
What are the key properties of 2-[(E)-ethylidene(oxido)phosphaniumyl]oxyethyl-trimethylazanium?
2-[(E)-ethylidene(oxido)phosphaniumyl]oxyethyl-trimethylazanium has a molecular weight of 178.19 g/mol, XLogP of 0.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-ethylidene(oxido)phosphaniumyl]oxyethyl-trimethylazanium is sourced from PubChem (CID 155047773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).