2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-(trimethylazaniumyl)ethyl phosphate

C18H40NO10P — CID 58922621

IUPAC2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-(trimethylazaniumyl)ethyl phosphate
SMILESCOCCOCCOCCOCCOCCOCCOP(=O)([O-])OCC[N+](C)(C)C
InChIInChI=1S/C18H40NO10P/c1-19(2,3)5-6-28-30(20,21)29-18-17-27-16-15-26-14-13-25-12-11-24-10-9-23-8-7-22-4/h5-18H2,1-4H3
InChIKeyXUXLKGCEYCVDOR-UHFFFAOYSA-N
MW461.49 g/mol
LogP-0.08
Rot. Bonds23

About 2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-(trimethylazaniumyl)ethyl phosphate

2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-(trimethylazaniumyl)ethyl phosphate (PubChem CID 58922621) has the molecular formula C18H40NO10P and a molecular weight of 461.49 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-(trimethylazaniumyl)ethyl phosphate.

Molecular Properties

Compound Name2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-(trimethylazaniumyl)ethyl phosphate
PubChem CID58922621
Molecular FormulaC18H40NO10P
Molecular Weight461.49 g/mol
Exact Mass461.24
IUPAC Name2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-(trimethylazaniumyl)ethyl phosphate
SMILESCOCCOCCOCCOCCOCCOCCOP(=O)([O-])OCC[N+](C)(C)C
InChIInChI=1S/C18H40NO10P/c1-19(2,3)5-6-28-30(20,21)29-18-17-27-16-15-26-14-13-25-12-11-24-10-9-23-8-7-22-4/h5-18H2,1-4H3
InChIKeyXUXLKGCEYCVDOR-UHFFFAOYSA-N
XLogP-0.08
TPSA113.97 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds23
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.49
LogP ≤ 5-0.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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

32-[oxido-[2-(trimethylazaniumyl)ethoxy]phosphoryl]oxydotriacontyl 2-(trimethylazaniumyl)ethyl phosphate
CID 11366358
2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy-methylphosphinate;2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy-methylphosphinate;2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy-oxidophosphoryl]oxyethoxy]ethoxy]ethoxy-methylphosphinate;2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy-oxidophosphoryl]oxyethoxy]ethoxy]ethoxy-methylphosphinate
CID 158978362
methyl 2-(trimethylazaniumyl)ethyl phosphate;molecular iodine
CID 159899690
3-decoxypropyl 2-(trimethylazaniumyl)ethyl phosphate
CID 134978552
3-octoxypropyl 2-(trimethylazaniumyl)ethyl phosphate
CID 134978239
2-[methoxy(2-methoxyethoxy)phosphoryl]oxyethyl-trimethylazanium
CID 174291074
prop-2-enyl 2-(trimethylazaniumyl)ethyl phosphate
CID 11535902
henicosyl 2-(trimethylazaniumyl)ethyl phosphate
CID 24836767
disodium;2-(trimethylazaniumyl)ethyl phosphate;chloride
CID 171699407
3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate;2-methoxyethyl(trimethyl)azanium
CID 118645294
[2-(hexadecoxymethyl)-3-methoxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
CID 58922760
(2-methoxy-3-nonoxypropyl) 2-(trimethylazaniumyl)ethyl phosphate
CID 5027624

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-(trimethylazaniumyl)ethyl phosphate?
The IUPAC name of 2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-(trimethylazaniumyl)ethyl phosphate (CID 58922621) is 2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-(trimethylazaniumyl)ethyl phosphate.
What is the SMILES notation for 2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-(trimethylazaniumyl)ethyl phosphate?
The canonical SMILES for 2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-(trimethylazaniumyl)ethyl phosphate is COCCOCCOCCOCCOCCOCCOP(=O)([O-])OCC[N+](C)(C)C.
What is the InChIKey of 2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-(trimethylazaniumyl)ethyl phosphate?
The InChIKey is XUXLKGCEYCVDOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40NO10P/c1-19(2,3)5-6-28-30(20,21)29-18-17-27-16-15-26-14-13-25-12-11-24-10-9-23-8-7-22-4/h5-18H2,1-4H3.
What are the key properties of 2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-(trimethylazaniumyl)ethyl phosphate?
2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-(trimethylazaniumyl)ethyl phosphate has a molecular weight of 461.49 g/mol, XLogP of -0.08, 23 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-(trimethylazaniumyl)ethyl phosphate is sourced from PubChem (CID 58922621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).