hydroxy(oxo)phosphanium;hydroxy-oxo-prop-2-enylphosphanium

C3H8O4P2+2 — CID 173258446

IUPAChydroxy(oxo)phosphanium;hydroxy-oxo-prop-2-enylphosphanium
SMILESC=CC[P+](=O)O.O=[PH+]O
InChIInChI=1S/C3H5O2P.HO2P/c1-2-3-6(4)5;1-3-2/h2H,1,3H2;3H/p+2
InChIKeyMGBDALXPNDHSBQ-UHFFFAOYSA-P
MW170.04 g/mol
LogP0.82
Rot. Bonds2

About hydroxy(oxo)phosphanium;hydroxy-oxo-prop-2-enylphosphanium

hydroxy(oxo)phosphanium;hydroxy-oxo-prop-2-enylphosphanium (PubChem CID 173258446) has the molecular formula C3H8O4P2+2 and a molecular weight of 170.04 g/mol. Its IUPAC name is hydroxy(oxo)phosphanium;hydroxy-oxo-prop-2-enylphosphanium.

Molecular Properties

Compound Namehydroxy(oxo)phosphanium;hydroxy-oxo-prop-2-enylphosphanium
PubChem CID173258446
Molecular FormulaC3H8O4P2+2
Molecular Weight170.04 g/mol
Exact Mass169.99
IUPAC Namehydroxy(oxo)phosphanium;hydroxy-oxo-prop-2-enylphosphanium
SMILESC=CC[P+](=O)O.O=[PH+]O
InChIInChI=1S/C3H5O2P.HO2P/c1-2-3-6(4)5;1-3-2/h2H,1,3H2;3H/p+2
InChIKeyMGBDALXPNDHSBQ-UHFFFAOYSA-P
XLogP0.82
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.04
LogP ≤ 50.82
H-Bond Donors ≤ 52
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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Related Compounds

hydroperoxy-oxo-prop-2-enylphosphanium
CID 87520848
bis(dihydroxy(oxo)phosphanium);ethenol
CID 87088723
dihydroxy(oxo)phosphanium;bis(prop-1-ene)
CID 87707073
dihydroxy(oxo)phosphanium;prop-2-ene-1-sulfonic acid
CID 87348389
benzene;hydroxy(oxo)phosphanium;prop-2-enylbenzene
CID 173443660
1-aminobut-3-enyl-hydroxy-oxophosphanium
CID 55289122
3-carboxybut-2-enyl-hydroxy-oxophosphanium
CID 173162493
oxo(prop-2-enyl)phosphanium;dihydrochloride
CID 173184696
N,N-bis(ethenyl)ethenamine;dihydroxy(oxo)phosphanium
CID 87568858
bis(dihydroxy(oxo)phosphanium);ethene
CID 157056745
hydroxy-oxo-[(prop-2-enylamino)methoxy]phosphanium
CID 88700386
dioxido(oxo)phosphanium;prop-2-ene-1-thiol
CID 23361438

Frequently Asked Questions

What is the IUPAC name of hydroxy(oxo)phosphanium;hydroxy-oxo-prop-2-enylphosphanium?
The IUPAC name of hydroxy(oxo)phosphanium;hydroxy-oxo-prop-2-enylphosphanium (CID 173258446) is hydroxy(oxo)phosphanium;hydroxy-oxo-prop-2-enylphosphanium.
What is the SMILES notation for hydroxy(oxo)phosphanium;hydroxy-oxo-prop-2-enylphosphanium?
The canonical SMILES for hydroxy(oxo)phosphanium;hydroxy-oxo-prop-2-enylphosphanium is C=CC[P+](=O)O.O=[PH+]O.
What is the InChIKey of hydroxy(oxo)phosphanium;hydroxy-oxo-prop-2-enylphosphanium?
The InChIKey is MGBDALXPNDHSBQ-UHFFFAOYSA-P. The full InChI is InChI=1S/C3H5O2P.HO2P/c1-2-3-6(4)5;1-3-2/h2H,1,3H2;3H/p+2.
What are the key properties of hydroxy(oxo)phosphanium;hydroxy-oxo-prop-2-enylphosphanium?
hydroxy(oxo)phosphanium;hydroxy-oxo-prop-2-enylphosphanium has a molecular weight of 170.04 g/mol, XLogP of 0.82, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy(oxo)phosphanium;hydroxy-oxo-prop-2-enylphosphanium is sourced from PubChem (CID 173258446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).