2-[bis(2-hydroxyethoxy)amino]oxyethanol;dinonyl hydrogen phosphate

C24H54NO10P — CID 173390920

IUPAC2-[bis(2-hydroxyethoxy)amino]oxyethanol;dinonyl hydrogen phosphate
SMILESCCCCCCCCCOP(=O)(O)OCCCCCCCCC.OCCON(OCCO)OCCO
InChIInChI=1S/C18H39O4P.C6H15NO6/c1-3-5-7-9-11-13-15-17-21-23(19,20)22-18-16-14-12-10-8-6-4-2;8-1-4-11-7(12-5-2-9)13-6-3-10/h3-18H2,1-2H3,(H,19,20);8-10H,1-6H2
InChIKeyXULHIXJRJAPIOR-UHFFFAOYSA-N
MW547.67 g/mol
LogP4.68
Rot. Bonds27

About 2-[bis(2-hydroxyethoxy)amino]oxyethanol;dinonyl hydrogen phosphate

2-[bis(2-hydroxyethoxy)amino]oxyethanol;dinonyl hydrogen phosphate (PubChem CID 173390920) has the molecular formula C24H54NO10P and a molecular weight of 547.67 g/mol. Its IUPAC name is 2-[bis(2-hydroxyethoxy)amino]oxyethanol;dinonyl hydrogen phosphate.

Molecular Properties

Compound Name2-[bis(2-hydroxyethoxy)amino]oxyethanol;dinonyl hydrogen phosphate
PubChem CID173390920
Molecular FormulaC24H54NO10P
Molecular Weight547.67 g/mol
Exact Mass547.35
IUPAC Name2-[bis(2-hydroxyethoxy)amino]oxyethanol;dinonyl hydrogen phosphate
SMILESCCCCCCCCCOP(=O)(O)OCCCCCCCCC.OCCON(OCCO)OCCO
InChIInChI=1S/C18H39O4P.C6H15NO6/c1-3-5-7-9-11-13-15-17-21-23(19,20)22-18-16-14-12-10-8-6-4-2;8-1-4-11-7(12-5-2-9)13-6-3-10/h3-18H2,1-2H3,(H,19,20);8-10H,1-6H2
InChIKeyXULHIXJRJAPIOR-UHFFFAOYSA-N
XLogP4.68
TPSA147.38 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds27
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500547.67
LogP ≤ 54.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

azane;hexadecyl 2-hydroxyethyl hydrogen phosphate
CID 173341052
disodium;didodecyl hydrogen phosphate;hydride
CID 173063019
decyl dodecyl hydrogen phosphate
CID 20810618
hexyl nonyl hydrogen phosphate
CID 23169649
hexadecyl hexyl hydrogen phosphate
CID 15132676
didodecyl hydrogen phosphate;nickel
CID 87136164
decyl propyl hydrogen phosphate
CID 87587050
dioctyl hydrogen phosphate;zinc
CID 20743274
butyl heptyl hydrogen phosphate
CID 86151412
diundecyl hydrogen phosphate;phosphoric acid
CID 87753312
dioctyl hydrogen phosphate;2-(2-hydroxyethylamino)ethanol
CID 6453842
bis(2-[bis(2-hydroxyethyl)amino]ethanol);didodecyl hydrogen phosphate;dodecyl dihydrogen phosphate
CID 173403156

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-hydroxyethoxy)amino]oxyethanol;dinonyl hydrogen phosphate?
The IUPAC name of 2-[bis(2-hydroxyethoxy)amino]oxyethanol;dinonyl hydrogen phosphate (CID 173390920) is 2-[bis(2-hydroxyethoxy)amino]oxyethanol;dinonyl hydrogen phosphate.
What is the SMILES notation for 2-[bis(2-hydroxyethoxy)amino]oxyethanol;dinonyl hydrogen phosphate?
The canonical SMILES for 2-[bis(2-hydroxyethoxy)amino]oxyethanol;dinonyl hydrogen phosphate is CCCCCCCCCOP(=O)(O)OCCCCCCCCC.OCCON(OCCO)OCCO.
What is the InChIKey of 2-[bis(2-hydroxyethoxy)amino]oxyethanol;dinonyl hydrogen phosphate?
The InChIKey is XULHIXJRJAPIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39O4P.C6H15NO6/c1-3-5-7-9-11-13-15-17-21-23(19,20)22-18-16-14-12-10-8-6-4-2;8-1-4-11-7(12-5-2-9)13-6-3-10/h3-18H2,1-2H3,(H,19,20);8-10H,1-6H2.
What are the key properties of 2-[bis(2-hydroxyethoxy)amino]oxyethanol;dinonyl hydrogen phosphate?
2-[bis(2-hydroxyethoxy)amino]oxyethanol;dinonyl hydrogen phosphate has a molecular weight of 547.67 g/mol, XLogP of 4.68, 27 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-hydroxyethoxy)amino]oxyethanol;dinonyl hydrogen phosphate is sourced from PubChem (CID 173390920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).