but-3-enoxy(chloro)phosphinic acid

C4H8ClO3P — CID 57266904

IUPACbut-3-enoxy(chloro)phosphinic acid
SMILESC=CCCOP(=O)(O)Cl
InChIInChI=1S/C4H8ClO3P/c1-2-3-4-8-9(5,6)7/h2H,1,3-4H2,(H,6,7)
InChIKeyLZQZDNZOQBXMGI-UHFFFAOYSA-N
MW170.53 g/mol
LogP1.92
Rot. Bonds4

About but-3-enoxy(chloro)phosphinic acid

but-3-enoxy(chloro)phosphinic acid (PubChem CID 57266904) has the molecular formula C4H8ClO3P and a molecular weight of 170.53 g/mol. Its IUPAC name is but-3-enoxy(chloro)phosphinic acid.

Molecular Properties

Compound Namebut-3-enoxy(chloro)phosphinic acid
PubChem CID57266904
Molecular FormulaC4H8ClO3P
Molecular Weight170.53 g/mol
Exact Mass169.99
IUPAC Namebut-3-enoxy(chloro)phosphinic acid
SMILESC=CCCOP(=O)(O)Cl
InChIInChI=1S/C4H8ClO3P/c1-2-3-4-8-9(5,6)7/h2H,1,3-4H2,(H,6,7)
InChIKeyLZQZDNZOQBXMGI-UHFFFAOYSA-N
XLogP1.92
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.53
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

But-3-enyl phosphono hydrogen phosphate
CID 15818140
But-3-en-1-yl dihydrogen phosphate
CID 21344887
But-3-enyl chloro fluoro phosphate
CID 130422706
4-[Chloro(fluoro)phosphoryl]oxybut-1-ene
CID 130422707
Bis(but-3-enyl) fluoro phosphate
CID 130422814
4-[But-3-enoxy(fluoro)phosphoryl]oxybut-1-ene
CID 130422815
But-3-enoxy(fluoro)phosphinic acid
CID 149890513
4-[Fluoro(methoxy)phosphoryl]oxybut-1-ene
CID 151144759
4-Fluorobut-3-enoxy-hydroxy-oxophosphanium
CID 174280949
4-Fluorobut-3-enyl dihydrogen phosphate
CID 175136102
4-[Chloro(ethoxy)phosphoryl]but-1-ene
CID 10103825
But-3-enyl methyl hydrogen phosphate
CID 17886759

Frequently Asked Questions

What is the IUPAC name of but-3-enoxy(chloro)phosphinic acid?
The IUPAC name of but-3-enoxy(chloro)phosphinic acid (CID 57266904) is but-3-enoxy(chloro)phosphinic acid.
What is the SMILES notation for but-3-enoxy(chloro)phosphinic acid?
The canonical SMILES for but-3-enoxy(chloro)phosphinic acid is C=CCCOP(=O)(O)Cl.
What is the InChIKey of but-3-enoxy(chloro)phosphinic acid?
The InChIKey is LZQZDNZOQBXMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8ClO3P/c1-2-3-4-8-9(5,6)7/h2H,1,3-4H2,(H,6,7).
What are the key properties of but-3-enoxy(chloro)phosphinic acid?
but-3-enoxy(chloro)phosphinic acid has a molecular weight of 170.53 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-enoxy(chloro)phosphinic acid is sourced from PubChem (CID 57266904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).