dioxido(oxo)phosphanium;ethene

C4H8O3P- — CID 19438484

IUPACdioxido(oxo)phosphanium;ethene
SMILESC=C.C=C.O=[P+]([O-])[O-]
InChIInChI=1S/2C2H4.HO3P/c2*1-2;1-4(2)3/h2*1-2H2;(H,1,2,3)/p-1
InChIKeyIDGOBKCWAXJPRE-UHFFFAOYSA-M
MW135.08 g/mol
LogP-0.03
Rot. Bonds

About dioxido(oxo)phosphanium;ethene

dioxido(oxo)phosphanium;ethene (PubChem CID 19438484) has the molecular formula C4H8O3P- and a molecular weight of 135.08 g/mol. Its IUPAC name is dioxido(oxo)phosphanium;ethene.

Molecular Properties

Compound Namedioxido(oxo)phosphanium;ethene
PubChem CID19438484
Molecular FormulaC4H8O3P-
Molecular Weight135.08 g/mol
Exact Mass135.02
IUPAC Namedioxido(oxo)phosphanium;ethene
SMILESC=C.C=C.O=[P+]([O-])[O-]
InChIInChI=1S/2C2H4.HO3P/c2*1-2;1-4(2)3/h2*1-2H2;(H,1,2,3)/p-1
InChIKeyIDGOBKCWAXJPRE-UHFFFAOYSA-M
XLogP-0.03
TPSA63.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.08
LogP ≤ 5-0.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 dioxido(oxo)phosphanium;ethene?
The IUPAC name of dioxido(oxo)phosphanium;ethene (CID 19438484) is dioxido(oxo)phosphanium;ethene.
What is the SMILES notation for dioxido(oxo)phosphanium;ethene?
The canonical SMILES for dioxido(oxo)phosphanium;ethene is C=C.C=C.O=[P+]([O-])[O-].
What is the InChIKey of dioxido(oxo)phosphanium;ethene?
The InChIKey is IDGOBKCWAXJPRE-UHFFFAOYSA-M. The full InChI is InChI=1S/2C2H4.HO3P/c2*1-2;1-4(2)3/h2*1-2H2;(H,1,2,3)/p-1.
What are the key properties of dioxido(oxo)phosphanium;ethene?
dioxido(oxo)phosphanium;ethene has a molecular weight of 135.08 g/mol, XLogP of -0.03, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dioxido(oxo)phosphanium;ethene is sourced from PubChem (CID 19438484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).