butoxy-(4-cyano-4-ethoxybutyl)phosphinic acid

C11H22NO4P — CID 150322262

IUPACbutoxy-(4-cyano-4-ethoxybutyl)phosphinic acid
SMILESCCCCOP(=O)(O)CCCC(C#N)OCC
InChIInChI=1S/C11H22NO4P/c1-3-5-8-16-17(13,14)9-6-7-11(10-12)15-4-2/h11H,3-9H2,1-2H3,(H,13,14)
InChIKeyGNWRNINYUQGKCC-UHFFFAOYSA-N
MW263.27 g/mol
LogP2.70
Rot. Bonds10

About butoxy-(4-cyano-4-ethoxybutyl)phosphinic acid

butoxy-(4-cyano-4-ethoxybutyl)phosphinic acid (PubChem CID 150322262) has the molecular formula C11H22NO4P and a molecular weight of 263.27 g/mol. Its IUPAC name is butoxy-(4-cyano-4-ethoxybutyl)phosphinic acid.

Molecular Properties

Compound Namebutoxy-(4-cyano-4-ethoxybutyl)phosphinic acid
PubChem CID150322262
Molecular FormulaC11H22NO4P
Molecular Weight263.27 g/mol
Exact Mass263.13
IUPAC Namebutoxy-(4-cyano-4-ethoxybutyl)phosphinic acid
SMILESCCCCOP(=O)(O)CCCC(C#N)OCC
InChIInChI=1S/C11H22NO4P/c1-3-5-8-16-17(13,14)9-6-7-11(10-12)15-4-2/h11H,3-9H2,1-2H3,(H,13,14)
InChIKeyGNWRNINYUQGKCC-UHFFFAOYSA-N
XLogP2.70
TPSA79.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 52.70
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'}

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Frequently Asked Questions

What is the IUPAC name of butoxy-(4-cyano-4-ethoxybutyl)phosphinic acid?
The IUPAC name of butoxy-(4-cyano-4-ethoxybutyl)phosphinic acid (CID 150322262) is butoxy-(4-cyano-4-ethoxybutyl)phosphinic acid.
What is the SMILES notation for butoxy-(4-cyano-4-ethoxybutyl)phosphinic acid?
The canonical SMILES for butoxy-(4-cyano-4-ethoxybutyl)phosphinic acid is CCCCOP(=O)(O)CCCC(C#N)OCC.
What is the InChIKey of butoxy-(4-cyano-4-ethoxybutyl)phosphinic acid?
The InChIKey is GNWRNINYUQGKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22NO4P/c1-3-5-8-16-17(13,14)9-6-7-11(10-12)15-4-2/h11H,3-9H2,1-2H3,(H,13,14).
What are the key properties of butoxy-(4-cyano-4-ethoxybutyl)phosphinic acid?
butoxy-(4-cyano-4-ethoxybutyl)phosphinic acid has a molecular weight of 263.27 g/mol, XLogP of 2.70, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butoxy-(4-cyano-4-ethoxybutyl)phosphinic acid is sourced from PubChem (CID 150322262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).