[2-[[1-ethoxy-2-(2-propyltetradecoxy)ethyl]-hydroxyphosphanyl]-2-oxoethyl]-trimethylazanium

C26H55NO4P+ — CID 174480300

IUPAC[2-[[1-ethoxy-2-(2-propyltetradecoxy)ethyl]-hydroxyphosphanyl]-2-oxoethyl]-trimethylazanium
SMILESCCCCCCCCCCCCC(CCC)COCC(OCC)P(O)C(=O)C[N+](C)(C)C
InChIInChI=1S/C26H55NO4P/c1-7-10-11-12-13-14-15-16-17-18-20-24(19-8-2)22-30-23-26(31-9-3)32(29)25(28)21-27(4,5)6/h24,26,29H,7-23H2,1-6H3/q+1
InChIKeyHGQNREWHALWMLF-UHFFFAOYSA-N
MW476.70 g/mol
LogP6.71
Rot. Bonds23

About [2-[[1-ethoxy-2-(2-propyltetradecoxy)ethyl]-hydroxyphosphanyl]-2-oxoethyl]-trimethylazanium

[2-[[1-ethoxy-2-(2-propyltetradecoxy)ethyl]-hydroxyphosphanyl]-2-oxoethyl]-trimethylazanium (PubChem CID 174480300) has the molecular formula C26H55NO4P+ and a molecular weight of 476.70 g/mol. Its IUPAC name is [2-[[1-ethoxy-2-(2-propyltetradecoxy)ethyl]-hydroxyphosphanyl]-2-oxoethyl]-trimethylazanium.

Molecular Properties

Compound Name[2-[[1-ethoxy-2-(2-propyltetradecoxy)ethyl]-hydroxyphosphanyl]-2-oxoethyl]-trimethylazanium
PubChem CID174480300
Molecular FormulaC26H55NO4P+
Molecular Weight476.70 g/mol
Exact Mass476.39
IUPAC Name[2-[[1-ethoxy-2-(2-propyltetradecoxy)ethyl]-hydroxyphosphanyl]-2-oxoethyl]-trimethylazanium
SMILESCCCCCCCCCCCCC(CCC)COCC(OCC)P(O)C(=O)C[N+](C)(C)C
InChIInChI=1S/C26H55NO4P/c1-7-10-11-12-13-14-15-16-17-18-20-24(19-8-2)22-30-23-26(31-9-3)32(29)25(28)21-27(4,5)6/h24,26,29H,7-23H2,1-6H3/q+1
InChIKeyHGQNREWHALWMLF-UHFFFAOYSA-N
XLogP6.71
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds23
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.70
LogP ≤ 56.71
H-Bond Donors ≤ 51
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

4-(2-propylheptoxymethyl)nonane
CID 56652319
15-(2-tetradecyloctadecoxymethyl)hentriacontane
CID 19909391
4-(ethoxymethyl)nonane
CID 87066523
2-(2-propylnonoxy)ethanol
CID 168837428
2-[2-(2-hydroxyethoxy)ethoxy]ethanol;4-(2-propylheptoxymethyl)nonane
CID 175607007
2-propylundecyl acetate
CID 170849319
trisodium;7-(2-hexyldecoxymethyl)pentadecane;phosphate
CID 172746408
2-propylheptyl dihydrogen phosphite
CID 87359174
[2-[hydroxy(nonyl)phosphanyl]-2-oxoethyl]-trimethylazanium
CID 154436758
oxirane;4-(2-propylheptoxymethyl)nonane
CID 157371001
4-(butoxymethyl)nonane
CID 87066766
7-(2-ethylhexoxymethyl)pentadecane
CID 134599291

Frequently Asked Questions

What is the IUPAC name of [2-[[1-ethoxy-2-(2-propyltetradecoxy)ethyl]-hydroxyphosphanyl]-2-oxoethyl]-trimethylazanium?
The IUPAC name of [2-[[1-ethoxy-2-(2-propyltetradecoxy)ethyl]-hydroxyphosphanyl]-2-oxoethyl]-trimethylazanium (CID 174480300) is [2-[[1-ethoxy-2-(2-propyltetradecoxy)ethyl]-hydroxyphosphanyl]-2-oxoethyl]-trimethylazanium.
What is the SMILES notation for [2-[[1-ethoxy-2-(2-propyltetradecoxy)ethyl]-hydroxyphosphanyl]-2-oxoethyl]-trimethylazanium?
The canonical SMILES for [2-[[1-ethoxy-2-(2-propyltetradecoxy)ethyl]-hydroxyphosphanyl]-2-oxoethyl]-trimethylazanium is CCCCCCCCCCCCC(CCC)COCC(OCC)P(O)C(=O)C[N+](C)(C)C.
What is the InChIKey of [2-[[1-ethoxy-2-(2-propyltetradecoxy)ethyl]-hydroxyphosphanyl]-2-oxoethyl]-trimethylazanium?
The InChIKey is HGQNREWHALWMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H55NO4P/c1-7-10-11-12-13-14-15-16-17-18-20-24(19-8-2)22-30-23-26(31-9-3)32(29)25(28)21-27(4,5)6/h24,26,29H,7-23H2,1-6H3/q+1.
What are the key properties of [2-[[1-ethoxy-2-(2-propyltetradecoxy)ethyl]-hydroxyphosphanyl]-2-oxoethyl]-trimethylazanium?
[2-[[1-ethoxy-2-(2-propyltetradecoxy)ethyl]-hydroxyphosphanyl]-2-oxoethyl]-trimethylazanium has a molecular weight of 476.70 g/mol, XLogP of 6.71, 23 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[1-ethoxy-2-(2-propyltetradecoxy)ethyl]-hydroxyphosphanyl]-2-oxoethyl]-trimethylazanium is sourced from PubChem (CID 174480300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).