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

C5H14NO3P+2 — CID 19977615

IUPAC2-[hydroxy(oxo)phosphaniumyl]oxyethyl-trimethylazanium
SMILESC[N+](C)(C)CCO[P+](=O)O
InChIInChI=1S/C5H13NO3P/c1-6(2,3)4-5-9-10(7)8/h4-5H2,1-3H3/q+1/p+1
InChIKeyHMQQONSSEFTCKL-UHFFFAOYSA-O
MW167.14 g/mol
LogP0.36
Rot. Bonds4

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

2-[hydroxy(oxo)phosphaniumyl]oxyethyl-trimethylazanium (PubChem CID 19977615) has the molecular formula C5H14NO3P+2 and a molecular weight of 167.14 g/mol. Its IUPAC name is 2-[hydroxy(oxo)phosphaniumyl]oxyethyl-trimethylazanium.

Molecular Properties

Compound Name2-[hydroxy(oxo)phosphaniumyl]oxyethyl-trimethylazanium
PubChem CID19977615
Molecular FormulaC5H14NO3P+2
Molecular Weight167.14 g/mol
Exact Mass167.07
IUPAC Name2-[hydroxy(oxo)phosphaniumyl]oxyethyl-trimethylazanium
SMILESC[N+](C)(C)CCO[P+](=O)O
InChIInChI=1S/C5H13NO3P/c1-6(2,3)4-5-9-10(7)8/h4-5H2,1-3H3/q+1/p+1
InChIKeyHMQQONSSEFTCKL-UHFFFAOYSA-O
XLogP0.36
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.14
LogP ≤ 50.36
H-Bond Donors ≤ 51
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-[chloro(oxo)phosphaniumyl]oxyethyl-trimethylazanium
CID 91359871
hydroxy-[2-[hydroxy(oxo)phosphaniumyl]oxyethoxy]-oxophosphanium;nickel
CID 174980367
tris(2-hydroxyethyl)-[2-[oxo-[2-(trimethylazaniumyl)ethoxy]phosphaniumyl]oxyethyl]azanium
CID 129235384
2-[hexoxy(oxo)phosphaniumyl]oxyethyl-trimethylazanium
CID 174865096
2-aminoethoxy-hydroxy-oxophosphanium
CID 18512670
2-[dodecyl(oxo)phosphaniumyl]oxyethyl-trimethylazanium
CID 20977395
2-hydroperoxyethyl(trimethyl)azanium;sulfane
CID 174916235
2-bromoethoxy-hydroxy-oxophosphanium;N,N-dimethylmethanamine
CID 174957638
butoxy-hydroxy-oxophosphanium;hexadecane
CID 87605082
hydride;hydroxy-oxo-pentoxyphosphanium;rubidium(1+)
CID 173073813
2-[(E)-ethylidene(oxido)phosphaniumyl]oxyethyl-trimethylazanium
CID 155047773

Frequently Asked Questions

What is the IUPAC name of 2-[hydroxy(oxo)phosphaniumyl]oxyethyl-trimethylazanium?
The IUPAC name of 2-[hydroxy(oxo)phosphaniumyl]oxyethyl-trimethylazanium (CID 19977615) is 2-[hydroxy(oxo)phosphaniumyl]oxyethyl-trimethylazanium.
What is the SMILES notation for 2-[hydroxy(oxo)phosphaniumyl]oxyethyl-trimethylazanium?
The canonical SMILES for 2-[hydroxy(oxo)phosphaniumyl]oxyethyl-trimethylazanium is C[N+](C)(C)CCO[P+](=O)O.
What is the InChIKey of 2-[hydroxy(oxo)phosphaniumyl]oxyethyl-trimethylazanium?
The InChIKey is HMQQONSSEFTCKL-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H13NO3P/c1-6(2,3)4-5-9-10(7)8/h4-5H2,1-3H3/q+1/p+1.
What are the key properties of 2-[hydroxy(oxo)phosphaniumyl]oxyethyl-trimethylazanium?
2-[hydroxy(oxo)phosphaniumyl]oxyethyl-trimethylazanium has a molecular weight of 167.14 g/mol, XLogP of 0.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[hydroxy(oxo)phosphaniumyl]oxyethyl-trimethylazanium is sourced from PubChem (CID 19977615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).