hydroxy-oxo-pent-2-enoxyphosphanium

C5H10O3P+ — CID 58814287

IUPAChydroxy-oxo-pent-2-enoxyphosphanium
SMILESCCC=CCO[P+](=O)O
InChIInChI=1S/C5H9O3P/c1-2-3-4-5-8-9(6)7/h3-4H,2,5H2,1H3/p+1
InChIKeyOGJIIAUIDNNPKE-UHFFFAOYSA-O
MW149.11 g/mol
LogP1.62
Rot. Bonds4

About hydroxy-oxo-pent-2-enoxyphosphanium

hydroxy-oxo-pent-2-enoxyphosphanium (PubChem CID 58814287) has the molecular formula C5H10O3P+ and a molecular weight of 149.11 g/mol. Its IUPAC name is hydroxy-oxo-pent-2-enoxyphosphanium.

Molecular Properties

Compound Namehydroxy-oxo-pent-2-enoxyphosphanium
PubChem CID58814287
Molecular FormulaC5H10O3P+
Molecular Weight149.11 g/mol
Exact Mass149.04
IUPAC Namehydroxy-oxo-pent-2-enoxyphosphanium
SMILESCCC=CCO[P+](=O)O
InChIInChI=1S/C5H9O3P/c1-2-3-4-5-8-9(6)7/h3-4H,2,5H2,1H3/p+1
InChIKeyOGJIIAUIDNNPKE-UHFFFAOYSA-O
XLogP1.62
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.11
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-2-enoxyphosphanium?
The IUPAC name of hydroxy-oxo-pent-2-enoxyphosphanium (CID 58814287) is hydroxy-oxo-pent-2-enoxyphosphanium.
What is the SMILES notation for hydroxy-oxo-pent-2-enoxyphosphanium?
The canonical SMILES for hydroxy-oxo-pent-2-enoxyphosphanium is CCC=CCO[P+](=O)O.
What is the InChIKey of hydroxy-oxo-pent-2-enoxyphosphanium?
The InChIKey is OGJIIAUIDNNPKE-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H9O3P/c1-2-3-4-5-8-9(6)7/h3-4H,2,5H2,1H3/p+1.
What are the key properties of hydroxy-oxo-pent-2-enoxyphosphanium?
hydroxy-oxo-pent-2-enoxyphosphanium has a molecular weight of 149.11 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-oxo-pent-2-enoxyphosphanium is sourced from PubChem (CID 58814287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).