ethoxy-[2-[2-(3-ethoxypropylamino)ethoxy]ethyl]phosphinic acid

C11H26NO5P — CID 155661231

IUPACethoxy-[2-[2-(3-ethoxypropylamino)ethoxy]ethyl]phosphinic acid
SMILESCCOCCCNCCOCCP(=O)(O)OCC
InChIInChI=1S/C11H26NO5P/c1-3-15-8-5-6-12-7-9-16-10-11-18(13,14)17-4-2/h12H,3-11H2,1-2H3,(H,13,14)
InChIKeyLQNXYVLVBGRUMD-UHFFFAOYSA-N
MW283.30 g/mol
LogP1.24
Rot. Bonds13

About ethoxy-[2-[2-(3-ethoxypropylamino)ethoxy]ethyl]phosphinic acid

ethoxy-[2-[2-(3-ethoxypropylamino)ethoxy]ethyl]phosphinic acid (PubChem CID 155661231) has the molecular formula C11H26NO5P and a molecular weight of 283.30 g/mol. Its IUPAC name is ethoxy-[2-[2-(3-ethoxypropylamino)ethoxy]ethyl]phosphinic acid.

Molecular Properties

Compound Nameethoxy-[2-[2-(3-ethoxypropylamino)ethoxy]ethyl]phosphinic acid
PubChem CID155661231
Molecular FormulaC11H26NO5P
Molecular Weight283.30 g/mol
Exact Mass283.15
IUPAC Nameethoxy-[2-[2-(3-ethoxypropylamino)ethoxy]ethyl]phosphinic acid
SMILESCCOCCCNCCOCCP(=O)(O)OCC
InChIInChI=1S/C11H26NO5P/c1-3-15-8-5-6-12-7-9-16-10-11-18(13,14)17-4-2/h12H,3-11H2,1-2H3,(H,13,14)
InChIKeyLQNXYVLVBGRUMD-UHFFFAOYSA-N
XLogP1.24
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethoxy-[2-[2-(3-ethoxypropylamino)ethoxy]ethyl]phosphinic acid?
The IUPAC name of ethoxy-[2-[2-(3-ethoxypropylamino)ethoxy]ethyl]phosphinic acid (CID 155661231) is ethoxy-[2-[2-(3-ethoxypropylamino)ethoxy]ethyl]phosphinic acid.
What is the SMILES notation for ethoxy-[2-[2-(3-ethoxypropylamino)ethoxy]ethyl]phosphinic acid?
The canonical SMILES for ethoxy-[2-[2-(3-ethoxypropylamino)ethoxy]ethyl]phosphinic acid is CCOCCCNCCOCCP(=O)(O)OCC.
What is the InChIKey of ethoxy-[2-[2-(3-ethoxypropylamino)ethoxy]ethyl]phosphinic acid?
The InChIKey is LQNXYVLVBGRUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26NO5P/c1-3-15-8-5-6-12-7-9-16-10-11-18(13,14)17-4-2/h12H,3-11H2,1-2H3,(H,13,14).
What are the key properties of ethoxy-[2-[2-(3-ethoxypropylamino)ethoxy]ethyl]phosphinic acid?
ethoxy-[2-[2-(3-ethoxypropylamino)ethoxy]ethyl]phosphinic acid has a molecular weight of 283.30 g/mol, XLogP of 1.24, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-[2-[2-(3-ethoxypropylamino)ethoxy]ethyl]phosphinic acid is sourced from PubChem (CID 155661231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).