1-[ethyl(hexyl)amino]ethoxy-oxo-propoxyphosphanium

C13H29NO3P+ — CID 174907903

IUPAC1-[ethyl(hexyl)amino]ethoxy-oxo-propoxyphosphanium
SMILESCCCCCCN(CC)C(C)O[P+](=O)OCCC
InChIInChI=1S/C13H29NO3P/c1-5-8-9-10-11-14(7-3)13(4)17-18(15)16-12-6-2/h13H,5-12H2,1-4H3/q+1
InChIKeyFLOGSCWEEOTYSN-UHFFFAOYSA-N
MW278.35 g/mol
LogP4.34
Rot. Bonds12

About 1-[ethyl(hexyl)amino]ethoxy-oxo-propoxyphosphanium

1-[ethyl(hexyl)amino]ethoxy-oxo-propoxyphosphanium (PubChem CID 174907903) has the molecular formula C13H29NO3P+ and a molecular weight of 278.35 g/mol. Its IUPAC name is 1-[ethyl(hexyl)amino]ethoxy-oxo-propoxyphosphanium.

Molecular Properties

Compound Name1-[ethyl(hexyl)amino]ethoxy-oxo-propoxyphosphanium
PubChem CID174907903
Molecular FormulaC13H29NO3P+
Molecular Weight278.35 g/mol
Exact Mass278.19
IUPAC Name1-[ethyl(hexyl)amino]ethoxy-oxo-propoxyphosphanium
SMILESCCCCCCN(CC)C(C)O[P+](=O)OCCC
InChIInChI=1S/C13H29NO3P/c1-5-8-9-10-11-14(7-3)13(4)17-18(15)16-12-6-2/h13H,5-12H2,1-4H3/q+1
InChIKeyFLOGSCWEEOTYSN-UHFFFAOYSA-N
XLogP4.34
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[ethyl(hexyl)amino]ethoxy-oxo-propoxyphosphanium?
The IUPAC name of 1-[ethyl(hexyl)amino]ethoxy-oxo-propoxyphosphanium (CID 174907903) is 1-[ethyl(hexyl)amino]ethoxy-oxo-propoxyphosphanium.
What is the SMILES notation for 1-[ethyl(hexyl)amino]ethoxy-oxo-propoxyphosphanium?
The canonical SMILES for 1-[ethyl(hexyl)amino]ethoxy-oxo-propoxyphosphanium is CCCCCCN(CC)C(C)O[P+](=O)OCCC.
What is the InChIKey of 1-[ethyl(hexyl)amino]ethoxy-oxo-propoxyphosphanium?
The InChIKey is FLOGSCWEEOTYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO3P/c1-5-8-9-10-11-14(7-3)13(4)17-18(15)16-12-6-2/h13H,5-12H2,1-4H3/q+1.
What are the key properties of 1-[ethyl(hexyl)amino]ethoxy-oxo-propoxyphosphanium?
1-[ethyl(hexyl)amino]ethoxy-oxo-propoxyphosphanium has a molecular weight of 278.35 g/mol, XLogP of 4.34, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl(hexyl)amino]ethoxy-oxo-propoxyphosphanium is sourced from PubChem (CID 174907903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).