hydroxy-oxo-pent-1-en-3-ylphosphanium

C5H10O2P+ — CID 87733057

IUPAChydroxy-oxo-pent-1-en-3-ylphosphanium
SMILESC=CC(CC)[P+](=O)O
InChIInChI=1S/C5H9O2P/c1-3-5(4-2)8(6)7/h3,5H,1,4H2,2H3/p+1
InChIKeyLWBMPYYPMFVECB-UHFFFAOYSA-O
MW133.11 g/mol
LogP1.69
Rot. Bonds3

About hydroxy-oxo-pent-1-en-3-ylphosphanium

hydroxy-oxo-pent-1-en-3-ylphosphanium (PubChem CID 87733057) has the molecular formula C5H10O2P+ and a molecular weight of 133.11 g/mol. Its IUPAC name is hydroxy-oxo-pent-1-en-3-ylphosphanium.

Molecular Properties

Compound Namehydroxy-oxo-pent-1-en-3-ylphosphanium
PubChem CID87733057
Molecular FormulaC5H10O2P+
Molecular Weight133.11 g/mol
Exact Mass133.04
IUPAC Namehydroxy-oxo-pent-1-en-3-ylphosphanium
SMILESC=CC(CC)[P+](=O)O
InChIInChI=1S/C5H9O2P/c1-3-5(4-2)8(6)7/h3,5H,1,4H2,2H3/p+1
InChIKeyLWBMPYYPMFVECB-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-1-en-3-ylphosphanium?
The IUPAC name of hydroxy-oxo-pent-1-en-3-ylphosphanium (CID 87733057) is hydroxy-oxo-pent-1-en-3-ylphosphanium.
What is the SMILES notation for hydroxy-oxo-pent-1-en-3-ylphosphanium?
The canonical SMILES for hydroxy-oxo-pent-1-en-3-ylphosphanium is C=CC(CC)[P+](=O)O.
What is the InChIKey of hydroxy-oxo-pent-1-en-3-ylphosphanium?
The InChIKey is LWBMPYYPMFVECB-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H9O2P/c1-3-5(4-2)8(6)7/h3,5H,1,4H2,2H3/p+1.
What are the key properties of hydroxy-oxo-pent-1-en-3-ylphosphanium?
hydroxy-oxo-pent-1-en-3-ylphosphanium 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-1-en-3-ylphosphanium is sourced from PubChem (CID 87733057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).