[(E)-but-2-enyl]phosphonic acid

C4H9O3P — CID 19091282

IUPAC[(E)-but-2-enyl]phosphonic acid
SMILESC/C=C/CP(=O)(O)O
InChIInChI=1S/C4H9O3P/c1-2-3-4-8(5,6)7/h2-3H,4H2,1H3,(H2,5,6,7)/b3-2+
InChIKeyUMLJJHNRXVPZOJ-NSCUHMNNSA-N
MW136.09 g/mol
LogP0.74
Rot. Bonds2

About [(E)-but-2-enyl]phosphonic acid

[(E)-but-2-enyl]phosphonic acid (PubChem CID 19091282) has the molecular formula C4H9O3P and a molecular weight of 136.09 g/mol. Its IUPAC name is [(E)-but-2-enyl]phosphonic acid.

Molecular Properties

Compound Name[(E)-but-2-enyl]phosphonic acid
PubChem CID19091282
Molecular FormulaC4H9O3P
Molecular Weight136.09 g/mol
Exact Mass136.03
IUPAC Name[(E)-but-2-enyl]phosphonic acid
SMILESC/C=C/CP(=O)(O)O
InChIInChI=1S/C4H9O3P/c1-2-3-4-8(5,6)7/h2-3H,4H2,1H3,(H2,5,6,7)/b3-2+
InChIKeyUMLJJHNRXVPZOJ-NSCUHMNNSA-N
XLogP0.74
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.09
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(E)-but-2-enyl]phosphonic acid?
The IUPAC name of [(E)-but-2-enyl]phosphonic acid (CID 19091282) is [(E)-but-2-enyl]phosphonic acid.
What is the SMILES notation for [(E)-but-2-enyl]phosphonic acid?
The canonical SMILES for [(E)-but-2-enyl]phosphonic acid is C/C=C/CP(=O)(O)O.
What is the InChIKey of [(E)-but-2-enyl]phosphonic acid?
The InChIKey is UMLJJHNRXVPZOJ-NSCUHMNNSA-N. The full InChI is InChI=1S/C4H9O3P/c1-2-3-4-8(5,6)7/h2-3H,4H2,1H3,(H2,5,6,7)/b3-2+.
What are the key properties of [(E)-but-2-enyl]phosphonic acid?
[(E)-but-2-enyl]phosphonic acid has a molecular weight of 136.09 g/mol, XLogP of 0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-but-2-enyl]phosphonic acid is sourced from PubChem (CID 19091282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).