3-ethylpent-2-enylphosphonic acid

C7H15O3P — CID 53442945

IUPAC3-ethylpent-2-enylphosphonic acid
SMILESCCC(=CCP(=O)(O)O)CC
InChIInChI=1S/C7H15O3P/c1-3-7(4-2)5-6-11(8,9)10/h5H,3-4,6H2,1-2H3,(H2,8,9,10)
InChIKeyLUJRVIBCFQKRAQ-UHFFFAOYSA-N
MW178.17 g/mol
LogP1.91
Rot. Bonds4

About 3-ethylpent-2-enylphosphonic acid

3-ethylpent-2-enylphosphonic acid (PubChem CID 53442945) has the molecular formula C7H15O3P and a molecular weight of 178.17 g/mol. Its IUPAC name is 3-ethylpent-2-enylphosphonic acid.

Molecular Properties

Compound Name3-ethylpent-2-enylphosphonic acid
PubChem CID53442945
Molecular FormulaC7H15O3P
Molecular Weight178.17 g/mol
Exact Mass178.08
IUPAC Name3-ethylpent-2-enylphosphonic acid
SMILESCCC(=CCP(=O)(O)O)CC
InChIInChI=1S/C7H15O3P/c1-3-7(4-2)5-6-11(8,9)10/h5H,3-4,6H2,1-2H3,(H2,8,9,10)
InChIKeyLUJRVIBCFQKRAQ-UHFFFAOYSA-N
XLogP1.91
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.17
LogP ≤ 51.91
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 3-ethylpent-2-enylphosphonic acid?
The IUPAC name of 3-ethylpent-2-enylphosphonic acid (CID 53442945) is 3-ethylpent-2-enylphosphonic acid.
What is the SMILES notation for 3-ethylpent-2-enylphosphonic acid?
The canonical SMILES for 3-ethylpent-2-enylphosphonic acid is CCC(=CCP(=O)(O)O)CC.
What is the InChIKey of 3-ethylpent-2-enylphosphonic acid?
The InChIKey is LUJRVIBCFQKRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15O3P/c1-3-7(4-2)5-6-11(8,9)10/h5H,3-4,6H2,1-2H3,(H2,8,9,10).
What are the key properties of 3-ethylpent-2-enylphosphonic acid?
3-ethylpent-2-enylphosphonic acid has a molecular weight of 178.17 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylpent-2-enylphosphonic acid is sourced from PubChem (CID 53442945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).