2-chloroethoxy-oxo-prop-1-en-2-ylphosphanium

C5H9ClO2P+ — CID 88638572

IUPAC2-chloroethoxy-oxo-prop-1-en-2-ylphosphanium
SMILESC=C(C)[P+](=O)OCCCl
InChIInChI=1S/C5H9ClO2P/c1-5(2)9(7)8-4-3-6/h1,3-4H2,2H3/q+1
InChIKeyGIYUJHHPCFIRCF-UHFFFAOYSA-N
MW167.55 g/mol
LogP2.52
Rot. Bonds4

About 2-chloroethoxy-oxo-prop-1-en-2-ylphosphanium

2-chloroethoxy-oxo-prop-1-en-2-ylphosphanium (PubChem CID 88638572) has the molecular formula C5H9ClO2P+ and a molecular weight of 167.55 g/mol. Its IUPAC name is 2-chloroethoxy-oxo-prop-1-en-2-ylphosphanium.

Molecular Properties

Compound Name2-chloroethoxy-oxo-prop-1-en-2-ylphosphanium
PubChem CID88638572
Molecular FormulaC5H9ClO2P+
Molecular Weight167.55 g/mol
Exact Mass167.00
IUPAC Name2-chloroethoxy-oxo-prop-1-en-2-ylphosphanium
SMILESC=C(C)[P+](=O)OCCCl
InChIInChI=1S/C5H9ClO2P/c1-5(2)9(7)8-4-3-6/h1,3-4H2,2H3/q+1
InChIKeyGIYUJHHPCFIRCF-UHFFFAOYSA-N
XLogP2.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.55
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

Bis(2-chloroethyl) prop-1-en-2-ylphosphonate
CID 21426241
(2-Chloro-allyl)-phosphonic acid diethyl ester
CID 3614432
1-[[(E)-1,2-dichloroethenyl]-propoxyphosphoryl]oxypropane
CID 135080737
(E)-3-chloro-1-diethoxyphosphorylprop-1-ene
CID 13953137
1-[[(Z)-1,2-dichloroethenyl]-propoxyphosphoryl]oxypropane
CID 13501747
4-Chloro-1-diethoxyphosphorylbuta-1,2-diene
CID 134836676
Diethyl (3-chloroallyl)phosphonate
CID 86010
(E)-1-chloro-3-diethoxyphosphorylprop-1-ene
CID 6537956
Phosphoric acid, 1-(chloromethyl)ethenyl diethyl ester
CID 4490727
2-Chloro-3-[chloromethyl(2-chloroprop-2-enoxy)phosphoryl]oxyprop-1-ene
CID 9970867
3-[Bis(chloromethyl)phosphoryloxy]-2-chloroprop-1-ene
CID 10037184
4-chloro-2-ethoxy-5H-1,2lambda5-oxaphosphole 2-oxide
CID 23262834

Frequently Asked Questions

What is the IUPAC name of 2-chloroethoxy-oxo-prop-1-en-2-ylphosphanium?
The IUPAC name of 2-chloroethoxy-oxo-prop-1-en-2-ylphosphanium (CID 88638572) is 2-chloroethoxy-oxo-prop-1-en-2-ylphosphanium.
What is the SMILES notation for 2-chloroethoxy-oxo-prop-1-en-2-ylphosphanium?
The canonical SMILES for 2-chloroethoxy-oxo-prop-1-en-2-ylphosphanium is C=C(C)[P+](=O)OCCCl.
What is the InChIKey of 2-chloroethoxy-oxo-prop-1-en-2-ylphosphanium?
The InChIKey is GIYUJHHPCFIRCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9ClO2P/c1-5(2)9(7)8-4-3-6/h1,3-4H2,2H3/q+1.
What are the key properties of 2-chloroethoxy-oxo-prop-1-en-2-ylphosphanium?
2-chloroethoxy-oxo-prop-1-en-2-ylphosphanium has a molecular weight of 167.55 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroethoxy-oxo-prop-1-en-2-ylphosphanium is sourced from PubChem (CID 88638572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).