but-2-enoyloxy(nonyl)phosphinic acid

C13H25O4P — CID 174870356

IUPACbut-2-enoyloxy(nonyl)phosphinic acid
SMILESCC=CC(=O)OP(=O)(O)CCCCCCCCC
InChIInChI=1S/C13H25O4P/c1-3-5-6-7-8-9-10-12-18(15,16)17-13(14)11-4-2/h4,11H,3,5-10,12H2,1-2H3,(H,15,16)
InChIKeyVQXRCEOTIBXUDV-UHFFFAOYSA-N
MW276.31 g/mol
LogP4.04
Rot. Bonds10

About but-2-enoyloxy(nonyl)phosphinic acid

but-2-enoyloxy(nonyl)phosphinic acid (PubChem CID 174870356) has the molecular formula C13H25O4P and a molecular weight of 276.31 g/mol. Its IUPAC name is but-2-enoyloxy(nonyl)phosphinic acid.

Molecular Properties

Compound Namebut-2-enoyloxy(nonyl)phosphinic acid
PubChem CID174870356
Molecular FormulaC13H25O4P
Molecular Weight276.31 g/mol
Exact Mass276.15
IUPAC Namebut-2-enoyloxy(nonyl)phosphinic acid
SMILESCC=CC(=O)OP(=O)(O)CCCCCCCCC
InChIInChI=1S/C13H25O4P/c1-3-5-6-7-8-9-10-12-18(15,16)17-13(14)11-4-2/h4,11H,3,5-10,12H2,1-2H3,(H,15,16)
InChIKeyVQXRCEOTIBXUDV-UHFFFAOYSA-N
XLogP4.04
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

decyl(methoxy)phosphinic acid
CID 54568982
dodecyl (E)-but-2-enoate
CID 5462914
fluorooxy(octyl)phosphinic acid
CID 140648902
butane;ethoxy(hexyl)phosphinic acid
CID 174841560
decoxy(decyl)phosphinic acid;iron
CID 87601920
dodecyl(nonoxy)phosphinic acid
CID 139947157
heptoxy(octadecyl)phosphinic acid
CID 139947141
hexyl(pentoxy)phosphinic acid
CID 139947056
but-2-enoic acid;tetracosane
CID 159276528
ethenoxy(pentyl)phosphinic acid
CID 87577957
ethoxy(hexyl)phosphinic acid;methanol;phosphoric acid
CID 174685262
hexylphosphonic acid;octylphosphonic acid
CID 155346901

Frequently Asked Questions

What is the IUPAC name of but-2-enoyloxy(nonyl)phosphinic acid?
The IUPAC name of but-2-enoyloxy(nonyl)phosphinic acid (CID 174870356) is but-2-enoyloxy(nonyl)phosphinic acid.
What is the SMILES notation for but-2-enoyloxy(nonyl)phosphinic acid?
The canonical SMILES for but-2-enoyloxy(nonyl)phosphinic acid is CC=CC(=O)OP(=O)(O)CCCCCCCCC.
What is the InChIKey of but-2-enoyloxy(nonyl)phosphinic acid?
The InChIKey is VQXRCEOTIBXUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25O4P/c1-3-5-6-7-8-9-10-12-18(15,16)17-13(14)11-4-2/h4,11H,3,5-10,12H2,1-2H3,(H,15,16).
What are the key properties of but-2-enoyloxy(nonyl)phosphinic acid?
but-2-enoyloxy(nonyl)phosphinic acid has a molecular weight of 276.31 g/mol, XLogP of 4.04, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for but-2-enoyloxy(nonyl)phosphinic acid is sourced from PubChem (CID 174870356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).