oxo(prop-2-enyl)phosphanium;dihydrochloride

C3H8Cl2OP+ — CID 173184696

IUPACoxo(prop-2-enyl)phosphanium;dihydrochloride
SMILESC=CC[PH+]=O.Cl.Cl
InChIInChI=1S/C3H5OP.2ClH/c1-2-3-5-4;;/h2H,1,3H2;2*1H/p+1
InChIKeyPCVSAIXPSXHBEL-UHFFFAOYSA-O
MW161.98 g/mol
LogP2.04
Rot. Bonds2

About oxo(prop-2-enyl)phosphanium;dihydrochloride

oxo(prop-2-enyl)phosphanium;dihydrochloride (PubChem CID 173184696) has the molecular formula C3H8Cl2OP+ and a molecular weight of 161.98 g/mol. Its IUPAC name is oxo(prop-2-enyl)phosphanium;dihydrochloride.

Molecular Properties

Compound Nameoxo(prop-2-enyl)phosphanium;dihydrochloride
PubChem CID173184696
Molecular FormulaC3H8Cl2OP+
Molecular Weight161.98 g/mol
Exact Mass160.97
IUPAC Nameoxo(prop-2-enyl)phosphanium;dihydrochloride
SMILESC=CC[PH+]=O.Cl.Cl
InChIInChI=1S/C3H5OP.2ClH/c1-2-3-5-4;;/h2H,1,3H2;2*1H/p+1
InChIKeyPCVSAIXPSXHBEL-UHFFFAOYSA-O
XLogP2.04
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.98
LogP ≤ 52.04
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of oxo(prop-2-enyl)phosphanium;dihydrochloride?
The IUPAC name of oxo(prop-2-enyl)phosphanium;dihydrochloride (CID 173184696) is oxo(prop-2-enyl)phosphanium;dihydrochloride.
What is the SMILES notation for oxo(prop-2-enyl)phosphanium;dihydrochloride?
The canonical SMILES for oxo(prop-2-enyl)phosphanium;dihydrochloride is C=CC[PH+]=O.Cl.Cl.
What is the InChIKey of oxo(prop-2-enyl)phosphanium;dihydrochloride?
The InChIKey is PCVSAIXPSXHBEL-UHFFFAOYSA-O. The full InChI is InChI=1S/C3H5OP.2ClH/c1-2-3-5-4;;/h2H,1,3H2;2*1H/p+1.
What are the key properties of oxo(prop-2-enyl)phosphanium;dihydrochloride?
oxo(prop-2-enyl)phosphanium;dihydrochloride has a molecular weight of 161.98 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for oxo(prop-2-enyl)phosphanium;dihydrochloride is sourced from PubChem (CID 173184696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).