tetradecoxy-[2-(trimethylazaniumyl)ethoxymethyl]phosphinate

C20H44NO4P — CID 10960195

IUPACtetradecoxy-[2-(trimethylazaniumyl)ethoxymethyl]phosphinate
SMILESCCCCCCCCCCCCCCOP(=O)([O-])COCC[N+](C)(C)C
InChIInChI=1S/C20H44NO4P/c1-5-6-7-8-9-10-11-12-13-14-15-16-18-25-26(22,23)20-24-19-17-21(2,3)4/h5-20H2,1-4H3
InChIKeyJXTMZGSXMNRRLC-UHFFFAOYSA-N
MW393.55 g/mol
LogP4.94
Rot. Bonds19

About tetradecoxy-[2-(trimethylazaniumyl)ethoxymethyl]phosphinate

tetradecoxy-[2-(trimethylazaniumyl)ethoxymethyl]phosphinate (PubChem CID 10960195) has the molecular formula C20H44NO4P and a molecular weight of 393.55 g/mol. Its IUPAC name is tetradecoxy-[2-(trimethylazaniumyl)ethoxymethyl]phosphinate.

Molecular Properties

Compound Nametetradecoxy-[2-(trimethylazaniumyl)ethoxymethyl]phosphinate
PubChem CID10960195
Molecular FormulaC20H44NO4P
Molecular Weight393.55 g/mol
Exact Mass393.30
IUPAC Nametetradecoxy-[2-(trimethylazaniumyl)ethoxymethyl]phosphinate
SMILESCCCCCCCCCCCCCCOP(=O)([O-])COCC[N+](C)(C)C
InChIInChI=1S/C20H44NO4P/c1-5-6-7-8-9-10-11-12-13-14-15-16-18-25-26(22,23)20-24-19-17-21(2,3)4/h5-20H2,1-4H3
InChIKeyJXTMZGSXMNRRLC-UHFFFAOYSA-N
XLogP4.94
TPSA58.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.55
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-[[hydroxy(pentadecoxy)phosphoryl]methoxy]ethyl-trimethylazanium
CID 10046997
henicosyl 2-(trimethylazaniumyl)ethyl phosphate
CID 24836767
3-decoxypropyl 2-(trimethylazaniumyl)ethyl phosphate
CID 134978552
3-octoxypropyl 2-(trimethylazaniumyl)ethyl phosphate
CID 134978239
decyl(trimethyl)azanium;dioctyl phosphate
CID 170436179
bis(decyl(trimethyl)azanium);octyl phosphate
CID 170436231
cobalt(3+);hexoxy(hexyl)phosphinate
CID 140747230
dibutyl phosphate;hexadecyl(trimethyl)azanium
CID 19078841
4-(octadecylamino)butyl 2-(trimethylazaniumyl)ethyl phosphate
CID 13282785
[(Z)-tetracos-15-enyl] 2-(trimethylazaniumyl)ethyl phosphate
CID 58922751
[(Z)-icos-11-enyl] 2-(trimethylazaniumyl)ethyl phosphate
CID 58922700
2-[hexadecoxy(oxido)phosphinothioyl]oxyethyl-trimethylazanium;methane
CID 160707293

Frequently Asked Questions

What is the IUPAC name of tetradecoxy-[2-(trimethylazaniumyl)ethoxymethyl]phosphinate?
The IUPAC name of tetradecoxy-[2-(trimethylazaniumyl)ethoxymethyl]phosphinate (CID 10960195) is tetradecoxy-[2-(trimethylazaniumyl)ethoxymethyl]phosphinate.
What is the SMILES notation for tetradecoxy-[2-(trimethylazaniumyl)ethoxymethyl]phosphinate?
The canonical SMILES for tetradecoxy-[2-(trimethylazaniumyl)ethoxymethyl]phosphinate is CCCCCCCCCCCCCCOP(=O)([O-])COCC[N+](C)(C)C.
What is the InChIKey of tetradecoxy-[2-(trimethylazaniumyl)ethoxymethyl]phosphinate?
The InChIKey is JXTMZGSXMNRRLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H44NO4P/c1-5-6-7-8-9-10-11-12-13-14-15-16-18-25-26(22,23)20-24-19-17-21(2,3)4/h5-20H2,1-4H3.
What are the key properties of tetradecoxy-[2-(trimethylazaniumyl)ethoxymethyl]phosphinate?
tetradecoxy-[2-(trimethylazaniumyl)ethoxymethyl]phosphinate has a molecular weight of 393.55 g/mol, XLogP of 4.94, 19 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tetradecoxy-[2-(trimethylazaniumyl)ethoxymethyl]phosphinate is sourced from PubChem (CID 10960195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).