hydroxy-oxo-pent-3-enylphosphanium

C5H10O2P+ — CID 54227678

IUPAChydroxy-oxo-pent-3-enylphosphanium
SMILESCC=CCC[P+](=O)O
InChIInChI=1S/C5H9O2P/c1-2-3-4-5-8(6)7/h2-3H,4-5H2,1H3/p+1
InChIKeyZYJCGYIUYRIKBY-UHFFFAOYSA-O
MW133.11 g/mol
LogP1.69
Rot. Bonds3

About hydroxy-oxo-pent-3-enylphosphanium

hydroxy-oxo-pent-3-enylphosphanium (PubChem CID 54227678) has the molecular formula C5H10O2P+ and a molecular weight of 133.11 g/mol. Its IUPAC name is hydroxy-oxo-pent-3-enylphosphanium.

Molecular Properties

Compound Namehydroxy-oxo-pent-3-enylphosphanium
PubChem CID54227678
Molecular FormulaC5H10O2P+
Molecular Weight133.11 g/mol
Exact Mass133.04
IUPAC Namehydroxy-oxo-pent-3-enylphosphanium
SMILESCC=CCC[P+](=O)O
InChIInChI=1S/C5H9O2P/c1-2-3-4-5-8(6)7/h2-3H,4-5H2,1H3/p+1
InChIKeyZYJCGYIUYRIKBY-UHFFFAOYSA-O
XLogP1.69
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.11
LogP ≤ 51.69
H-Bond Donors ≤ 51
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 hydroxy-oxo-pent-3-enylphosphanium?
The IUPAC name of hydroxy-oxo-pent-3-enylphosphanium (CID 54227678) is hydroxy-oxo-pent-3-enylphosphanium.
What is the SMILES notation for hydroxy-oxo-pent-3-enylphosphanium?
The canonical SMILES for hydroxy-oxo-pent-3-enylphosphanium is CC=CCC[P+](=O)O.
What is the InChIKey of hydroxy-oxo-pent-3-enylphosphanium?
The InChIKey is ZYJCGYIUYRIKBY-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H9O2P/c1-2-3-4-5-8(6)7/h2-3H,4-5H2,1H3/p+1.
What are the key properties of hydroxy-oxo-pent-3-enylphosphanium?
hydroxy-oxo-pent-3-enylphosphanium has a molecular weight of 133.11 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-oxo-pent-3-enylphosphanium is sourced from PubChem (CID 54227678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).