hydroxy-(2-methylprop-2-enyl)-oxophosphanium

C4H8O2P+ — CID 88606339

IUPAChydroxy-(2-methylprop-2-enyl)-oxophosphanium
SMILESC=C(C)C[P+](=O)O
InChIInChI=1S/C4H7O2P/c1-4(2)3-7(5)6/h1,3H2,2H3/p+1
InChIKeyIOZLKOIMBTZMNV-UHFFFAOYSA-O
MW119.08 g/mol
LogP1.30
Rot. Bonds2

About hydroxy-(2-methylprop-2-enyl)-oxophosphanium

hydroxy-(2-methylprop-2-enyl)-oxophosphanium (PubChem CID 88606339) has the molecular formula C4H8O2P+ and a molecular weight of 119.08 g/mol. Its IUPAC name is hydroxy-(2-methylprop-2-enyl)-oxophosphanium.

Molecular Properties

Compound Namehydroxy-(2-methylprop-2-enyl)-oxophosphanium
PubChem CID88606339
Molecular FormulaC4H8O2P+
Molecular Weight119.08 g/mol
Exact Mass119.03
IUPAC Namehydroxy-(2-methylprop-2-enyl)-oxophosphanium
SMILESC=C(C)C[P+](=O)O
InChIInChI=1S/C4H7O2P/c1-4(2)3-7(5)6/h1,3H2,2H3/p+1
InChIKeyIOZLKOIMBTZMNV-UHFFFAOYSA-O
XLogP1.30
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.08
LogP ≤ 51.30
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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Related Compounds

ethyl-hydroxy-oxophosphanium;dihydrochloride
CID 88745268
dimethylphosphorylmethyl-hydroxy-oxophosphanium
CID 21393262
calcium;ethyl-hydroxy-oxophosphanium;hydride
CID 174736026
tris(dihydroxy(oxo)phosphanium);propane
CID 159543377
hydroxy-methyl-oxophosphanium;nitroxyl
CID 90711429
hydroxy-[3-(2-methylprop-2-enoyloxy)propyl]-oxophosphanium
CID 139672807
2,2-dimethylpropyl-hydroxy-oxophosphanium
CID 89268152
N-methyl-N-(2-methylprop-2-enyl)acetamide
CID 115968492
hydroxy-[(2Z)-4-methylpenta-2,4-dien-2-yl]-oxophosphanium
CID 88854983
bis(dihydroxy(oxo)phosphanium);ethene
CID 157056745
hydroxy-(1-isothiocyanato-3-methylbut-3-enyl)-oxophosphanium
CID 57233822
2-methylprop-2-enylsilane
CID 71339847

Frequently Asked Questions

What is the IUPAC name of hydroxy-(2-methylprop-2-enyl)-oxophosphanium?
The IUPAC name of hydroxy-(2-methylprop-2-enyl)-oxophosphanium (CID 88606339) is hydroxy-(2-methylprop-2-enyl)-oxophosphanium.
What is the SMILES notation for hydroxy-(2-methylprop-2-enyl)-oxophosphanium?
The canonical SMILES for hydroxy-(2-methylprop-2-enyl)-oxophosphanium is C=C(C)C[P+](=O)O.
What is the InChIKey of hydroxy-(2-methylprop-2-enyl)-oxophosphanium?
The InChIKey is IOZLKOIMBTZMNV-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H7O2P/c1-4(2)3-7(5)6/h1,3H2,2H3/p+1.
What are the key properties of hydroxy-(2-methylprop-2-enyl)-oxophosphanium?
hydroxy-(2-methylprop-2-enyl)-oxophosphanium has a molecular weight of 119.08 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-(2-methylprop-2-enyl)-oxophosphanium is sourced from PubChem (CID 88606339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).