chloro-ethenoxy-oxophosphanium

C2H3ClO2P+ — CID 87697866

IUPACchloro-ethenoxy-oxophosphanium
SMILESC=CO[P+](=O)Cl
InChIInChI=1S/C2H3ClO2P/c1-2-5-6(3)4/h2H,1H2/q+1
InChIKeyDLGYXQZLLGQXBF-UHFFFAOYSA-N
MW125.47 g/mol
LogP2.04
Rot. Bonds2

About chloro-ethenoxy-oxophosphanium

chloro-ethenoxy-oxophosphanium (PubChem CID 87697866) has the molecular formula C2H3ClO2P+ and a molecular weight of 125.47 g/mol. Its IUPAC name is chloro-ethenoxy-oxophosphanium.

Molecular Properties

Compound Namechloro-ethenoxy-oxophosphanium
PubChem CID87697866
Molecular FormulaC2H3ClO2P+
Molecular Weight125.47 g/mol
Exact Mass124.96
IUPAC Namechloro-ethenoxy-oxophosphanium
SMILESC=CO[P+](=O)Cl
InChIInChI=1S/C2H3ClO2P/c1-2-5-6(3)4/h2H,1H2/q+1
InChIKeyDLGYXQZLLGQXBF-UHFFFAOYSA-N
XLogP2.04
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.47
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

ethenoxy-hydroxy-oxophosphanium
CID 6328071
tetrakis(ethenoxy-oxido-oxophosphanium);zirconium(4+)
CID 166451765
butane;ethenoxy-hydroxy-oxophosphanium
CID 87195641
acetylene;ethenoxy-hydroxy-oxophosphanium
CID 175157956
ethenoxy-octyl-oxophosphanium
CID 175403596
ethenoxy-methoxycarbonyl-oxophosphanium
CID 130463703
ethenoxy-oxo-phenoxyphosphanium
CID 57202191
decyl(triethyl)azanium;ethenoxy-oxido-oxophosphanium
CID 174475382
chloro-oxo-phosphorosophosphanium
CID 173189474
amino-ethenyl-oxophosphanium
CID 140726616
bis(dihydroxy(oxo)phosphanium);ethenol
CID 87088723
ethenoxyethene;nitroxyl
CID 87932268

Frequently Asked Questions

What is the IUPAC name of chloro-ethenoxy-oxophosphanium?
The IUPAC name of chloro-ethenoxy-oxophosphanium (CID 87697866) is chloro-ethenoxy-oxophosphanium.
What is the SMILES notation for chloro-ethenoxy-oxophosphanium?
The canonical SMILES for chloro-ethenoxy-oxophosphanium is C=CO[P+](=O)Cl.
What is the InChIKey of chloro-ethenoxy-oxophosphanium?
The InChIKey is DLGYXQZLLGQXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3ClO2P/c1-2-5-6(3)4/h2H,1H2/q+1.
What are the key properties of chloro-ethenoxy-oxophosphanium?
chloro-ethenoxy-oxophosphanium has a molecular weight of 125.47 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-ethenoxy-oxophosphanium is sourced from PubChem (CID 87697866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).