ethenoxy(pentyl)phosphinic acid

C7H15O3P — CID 87577957

IUPACethenoxy(pentyl)phosphinic acid
SMILESC=COP(=O)(O)CCCCC
InChIInChI=1S/C7H15O3P/c1-3-5-6-7-11(8,9)10-4-2/h4H,2-3,5-7H2,1H3,(H,8,9)
InChIKeyNATOFAADRRGTDY-UHFFFAOYSA-N
MW178.17 g/mol
LogP2.52
Rot. Bonds6

About ethenoxy(pentyl)phosphinic acid

ethenoxy(pentyl)phosphinic acid (PubChem CID 87577957) has the molecular formula C7H15O3P and a molecular weight of 178.17 g/mol. Its IUPAC name is ethenoxy(pentyl)phosphinic acid.

Molecular Properties

Compound Nameethenoxy(pentyl)phosphinic acid
PubChem CID87577957
Molecular FormulaC7H15O3P
Molecular Weight178.17 g/mol
Exact Mass178.08
IUPAC Nameethenoxy(pentyl)phosphinic acid
SMILESC=COP(=O)(O)CCCCC
InChIInChI=1S/C7H15O3P/c1-3-5-6-7-11(8,9)10-4-2/h4H,2-3,5-7H2,1H3,(H,8,9)
InChIKeyNATOFAADRRGTDY-UHFFFAOYSA-N
XLogP2.52
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.17
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

decyl(methoxy)phosphinic acid
CID 54568982
pentadecyl(penta-2,4-dienoxy)phosphinic acid
CID 174788644
fluorooxy(octyl)phosphinic acid
CID 140648902
decoxy(decyl)phosphinic acid;iron
CID 87601920
dodecyl(nonoxy)phosphinic acid
CID 139947157
butane;ethoxy(hexyl)phosphinic acid
CID 174841560
heptoxy(octadecyl)phosphinic acid
CID 139947141
hexyl(pentoxy)phosphinic acid
CID 139947056
hexadecyl(4-prop-2-enoyloxybutyl)phosphinic acid
CID 139843854
octyl(6-prop-2-enoyloxyhexyl)phosphinic acid
CID 139843819
but-3-enoxy(butyl)phosphinic acid
CID 87154754
ethoxy(hexyl)phosphinic acid;methanol;phosphoric acid
CID 174685262

Frequently Asked Questions

What is the IUPAC name of ethenoxy(pentyl)phosphinic acid?
The IUPAC name of ethenoxy(pentyl)phosphinic acid (CID 87577957) is ethenoxy(pentyl)phosphinic acid.
What is the SMILES notation for ethenoxy(pentyl)phosphinic acid?
The canonical SMILES for ethenoxy(pentyl)phosphinic acid is C=COP(=O)(O)CCCCC.
What is the InChIKey of ethenoxy(pentyl)phosphinic acid?
The InChIKey is NATOFAADRRGTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15O3P/c1-3-5-6-7-11(8,9)10-4-2/h4H,2-3,5-7H2,1H3,(H,8,9).
What are the key properties of ethenoxy(pentyl)phosphinic acid?
ethenoxy(pentyl)phosphinic acid has a molecular weight of 178.17 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethenoxy(pentyl)phosphinic acid is sourced from PubChem (CID 87577957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).