hydroxy-oxo-penta-2,4-dienoxyphosphanium

C5H8O3P+ — CID 172685302

IUPAChydroxy-oxo-penta-2,4-dienoxyphosphanium
SMILESC=CC=CCO[P+](=O)O
InChIInChI=1S/C5H7O3P/c1-2-3-4-5-8-9(6)7/h2-4H,1,5H2/p+1
InChIKeyZDNSURZALXOKHD-UHFFFAOYSA-O
MW147.09 g/mol
LogP1.39
Rot. Bonds4

About hydroxy-oxo-penta-2,4-dienoxyphosphanium

hydroxy-oxo-penta-2,4-dienoxyphosphanium (PubChem CID 172685302) has the molecular formula C5H8O3P+ and a molecular weight of 147.09 g/mol. Its IUPAC name is hydroxy-oxo-penta-2,4-dienoxyphosphanium.

Molecular Properties

Compound Namehydroxy-oxo-penta-2,4-dienoxyphosphanium
PubChem CID172685302
Molecular FormulaC5H8O3P+
Molecular Weight147.09 g/mol
Exact Mass147.02
IUPAC Namehydroxy-oxo-penta-2,4-dienoxyphosphanium
SMILESC=CC=CCO[P+](=O)O
InChIInChI=1S/C5H7O3P/c1-2-3-4-5-8-9(6)7/h2-4H,1,5H2/p+1
InChIKeyZDNSURZALXOKHD-UHFFFAOYSA-O
XLogP1.39
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.09
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(Z)-but-2-enyl] phosphono hydrogen phosphate
CID 44363535
Crotyl phosphate
CID 6365393
Crotyl diphosphate
CID 15818139
[(Z)-but-2-enyl] dihydrogen phosphate
CID 44363368
[(2E)-5-methylhexa-2,4-dienyl] phosphono hydrogen phosphate
CID 155519591
[(2E,4E)-2-methylhexa-2,4-dienyl] phosphono hydrogen phosphate
CID 155532808
[(2E)-2-methylpenta-2,4-dienyl] phosphono hydrogen phosphate
CID 155537247
[(2E)-penta-2,4-dienyl] phosphono hydrogen phosphate
CID 155543282
But-2-enyl phosphono hydrogen phosphate
CID 54404583
[(E)-but-2-enyl] dimethyl phosphate
CID 10329919
But-2-enyl dihydrogen phosphate
CID 3015827
bis[(E)-but-2-enyl] hydrogen phosphate
CID 21750052

Frequently Asked Questions

What is the IUPAC name of hydroxy-oxo-penta-2,4-dienoxyphosphanium?
The IUPAC name of hydroxy-oxo-penta-2,4-dienoxyphosphanium (CID 172685302) is hydroxy-oxo-penta-2,4-dienoxyphosphanium.
What is the SMILES notation for hydroxy-oxo-penta-2,4-dienoxyphosphanium?
The canonical SMILES for hydroxy-oxo-penta-2,4-dienoxyphosphanium is C=CC=CCO[P+](=O)O.
What is the InChIKey of hydroxy-oxo-penta-2,4-dienoxyphosphanium?
The InChIKey is ZDNSURZALXOKHD-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H7O3P/c1-2-3-4-5-8-9(6)7/h2-4H,1,5H2/p+1.
What are the key properties of hydroxy-oxo-penta-2,4-dienoxyphosphanium?
hydroxy-oxo-penta-2,4-dienoxyphosphanium has a molecular weight of 147.09 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-oxo-penta-2,4-dienoxyphosphanium is sourced from PubChem (CID 172685302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).