[(E)-pent-1-enyl]phosphonic acid

C5H11O3P — CID 19091278

IUPAC[(E)-pent-1-enyl]phosphonic acid
SMILESCCC/C=C/P(=O)(O)O
InChIInChI=1S/C5H11O3P/c1-2-3-4-5-9(6,7)8/h4-5H,2-3H2,1H3,(H2,6,7,8)/b5-4+
InChIKeyOBAMUTKRXTXNFP-SNAWJCMRSA-N
MW150.11 g/mol
LogP1.48
Rot. Bonds3

About [(E)-pent-1-enyl]phosphonic acid

[(E)-pent-1-enyl]phosphonic acid (PubChem CID 19091278) has the molecular formula C5H11O3P and a molecular weight of 150.11 g/mol. Its IUPAC name is [(E)-pent-1-enyl]phosphonic acid.

Molecular Properties

Compound Name[(E)-pent-1-enyl]phosphonic acid
PubChem CID19091278
Molecular FormulaC5H11O3P
Molecular Weight150.11 g/mol
Exact Mass150.04
IUPAC Name[(E)-pent-1-enyl]phosphonic acid
SMILESCCC/C=C/P(=O)(O)O
InChIInChI=1S/C5H11O3P/c1-2-3-4-5-9(6,7)8/h4-5H,2-3H2,1H3,(H2,6,7,8)/b5-4+
InChIKeyOBAMUTKRXTXNFP-SNAWJCMRSA-N
XLogP1.48
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.11
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(E)-pent-1-enyl]phosphonic acid?
The IUPAC name of [(E)-pent-1-enyl]phosphonic acid (CID 19091278) is [(E)-pent-1-enyl]phosphonic acid.
What is the SMILES notation for [(E)-pent-1-enyl]phosphonic acid?
The canonical SMILES for [(E)-pent-1-enyl]phosphonic acid is CCC/C=C/P(=O)(O)O.
What is the InChIKey of [(E)-pent-1-enyl]phosphonic acid?
The InChIKey is OBAMUTKRXTXNFP-SNAWJCMRSA-N. The full InChI is InChI=1S/C5H11O3P/c1-2-3-4-5-9(6,7)8/h4-5H,2-3H2,1H3,(H2,6,7,8)/b5-4+.
What are the key properties of [(E)-pent-1-enyl]phosphonic acid?
[(E)-pent-1-enyl]phosphonic acid has a molecular weight of 150.11 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-pent-1-enyl]phosphonic acid is sourced from PubChem (CID 19091278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).