2-[hydroxy(non-1-enoxy)phosphoryl]oxyethyl-trimethylazanium

C14H31NO4P+ — CID 87338323

IUPAC2-[hydroxy(non-1-enoxy)phosphoryl]oxyethyl-trimethylazanium
SMILESCCCCCCCC=COP(=O)(O)OCC[N+](C)(C)C
InChIInChI=1S/C14H30NO4P/c1-5-6-7-8-9-10-11-13-18-20(16,17)19-14-12-15(2,3)4/h11,13H,5-10,12,14H2,1-4H3/p+1
InChIKeyLZAZXKISJNDPPM-UHFFFAOYSA-O
MW308.38 g/mol
LogP3.70
Rot. Bonds12

About 2-[hydroxy(non-1-enoxy)phosphoryl]oxyethyl-trimethylazanium

2-[hydroxy(non-1-enoxy)phosphoryl]oxyethyl-trimethylazanium (PubChem CID 87338323) has the molecular formula C14H31NO4P+ and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-[hydroxy(non-1-enoxy)phosphoryl]oxyethyl-trimethylazanium.

Molecular Properties

Compound Name2-[hydroxy(non-1-enoxy)phosphoryl]oxyethyl-trimethylazanium
PubChem CID87338323
Molecular FormulaC14H31NO4P+
Molecular Weight308.38 g/mol
Exact Mass308.20
IUPAC Name2-[hydroxy(non-1-enoxy)phosphoryl]oxyethyl-trimethylazanium
SMILESCCCCCCCC=COP(=O)(O)OCC[N+](C)(C)C
InChIInChI=1S/C14H30NO4P/c1-5-6-7-8-9-10-11-13-18-20(16,17)19-14-12-15(2,3)4/h11,13H,5-10,12,14H2,1-4H3/p+1
InChIKeyLZAZXKISJNDPPM-UHFFFAOYSA-O
XLogP3.70
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

2-[[(E)-dec-1-enoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
CID 11573327
2-[hydroxy-[(Z)-nonadec-10-enoxy]phosphoryl]oxyethyl-trimethylazanium
CID 11744356
2-[hexadec-11-enoxy(hydroxy)phosphoryl]oxyethyl-trimethylazanium
CID 85060320
bis(hept-1-enyl) hydrogen phosphate;bis(non-1-enyl) hydrogen phosphate;bis(oct-1-enyl) hydrogen phosphate
CID 160525345
bis(hept-1-enyl) hydrogen phosphate
CID 54526218
[(E)-hexadec-1-enyl] [(E)-hexadec-2-enyl] hydrogen phosphate
CID 6436967
2-[[(2R)-3-hexadecoxy-2-octadec-1-enoxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
CID 175704580
2-[[2-acetyloxy-3-[(Z)-octadec-1-enoxy]propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
CID 170325685
2-[hydroxy-[(2R)-2-methoxy-3-[(Z)-octadec-6-enoxy]propoxy]phosphoryl]oxyethyl-trimethylazanium
CID 87062997
2-[[(2R)-3-henicos-10-enoxy-2-methoxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
CID 91102329
2-[hydroxy-[(2R)-2-hydroxy-3-[(Z)-octadec-4-enoxy]propoxy]phosphoryl]oxyethyl-trimethylazanium
CID 10601712
2-[hydroxy-[(2R)-2-hydroxy-3-octadec-3-enoxypropoxy]phosphoryl]oxyethyl-trimethylazanium
CID 163195466

Frequently Asked Questions

What is the IUPAC name of 2-[hydroxy(non-1-enoxy)phosphoryl]oxyethyl-trimethylazanium?
The IUPAC name of 2-[hydroxy(non-1-enoxy)phosphoryl]oxyethyl-trimethylazanium (CID 87338323) is 2-[hydroxy(non-1-enoxy)phosphoryl]oxyethyl-trimethylazanium.
What is the SMILES notation for 2-[hydroxy(non-1-enoxy)phosphoryl]oxyethyl-trimethylazanium?
The canonical SMILES for 2-[hydroxy(non-1-enoxy)phosphoryl]oxyethyl-trimethylazanium is CCCCCCCC=COP(=O)(O)OCC[N+](C)(C)C.
What is the InChIKey of 2-[hydroxy(non-1-enoxy)phosphoryl]oxyethyl-trimethylazanium?
The InChIKey is LZAZXKISJNDPPM-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H30NO4P/c1-5-6-7-8-9-10-11-13-18-20(16,17)19-14-12-15(2,3)4/h11,13H,5-10,12,14H2,1-4H3/p+1.
What are the key properties of 2-[hydroxy(non-1-enoxy)phosphoryl]oxyethyl-trimethylazanium?
2-[hydroxy(non-1-enoxy)phosphoryl]oxyethyl-trimethylazanium has a molecular weight of 308.38 g/mol, XLogP of 3.70, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[hydroxy(non-1-enoxy)phosphoryl]oxyethyl-trimethylazanium is sourced from PubChem (CID 87338323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).