2-chloroethoxy-oxo-pent-4-enylphosphanium

C7H13ClO2P+ — CID 88762016

IUPAC2-chloroethoxy-oxo-pent-4-enylphosphanium
SMILESC=CCCC[P+](=O)OCCCl
InChIInChI=1S/C7H13ClO2P/c1-2-3-4-7-11(9)10-6-5-8/h2H,1,3-7H2/q+1
InChIKeyXWIPCDZMYMOPER-UHFFFAOYSA-N
MW195.61 g/mol
LogP2.95
Rot. Bonds7

About 2-chloroethoxy-oxo-pent-4-enylphosphanium

2-chloroethoxy-oxo-pent-4-enylphosphanium (PubChem CID 88762016) has the molecular formula C7H13ClO2P+ and a molecular weight of 195.61 g/mol. Its IUPAC name is 2-chloroethoxy-oxo-pent-4-enylphosphanium.

Molecular Properties

Compound Name2-chloroethoxy-oxo-pent-4-enylphosphanium
PubChem CID88762016
Molecular FormulaC7H13ClO2P+
Molecular Weight195.61 g/mol
Exact Mass195.03
IUPAC Name2-chloroethoxy-oxo-pent-4-enylphosphanium
SMILESC=CCCC[P+](=O)OCCCl
InChIInChI=1S/C7H13ClO2P/c1-2-3-4-7-11(9)10-6-5-8/h2H,1,3-7H2/q+1
InChIKeyXWIPCDZMYMOPER-UHFFFAOYSA-N
XLogP2.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.61
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'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 2-chloroethoxy-oxo-pent-4-enylphosphanium?
The IUPAC name of 2-chloroethoxy-oxo-pent-4-enylphosphanium (CID 88762016) is 2-chloroethoxy-oxo-pent-4-enylphosphanium.
What is the SMILES notation for 2-chloroethoxy-oxo-pent-4-enylphosphanium?
The canonical SMILES for 2-chloroethoxy-oxo-pent-4-enylphosphanium is C=CCCC[P+](=O)OCCCl.
What is the InChIKey of 2-chloroethoxy-oxo-pent-4-enylphosphanium?
The InChIKey is XWIPCDZMYMOPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13ClO2P/c1-2-3-4-7-11(9)10-6-5-8/h2H,1,3-7H2/q+1.
What are the key properties of 2-chloroethoxy-oxo-pent-4-enylphosphanium?
2-chloroethoxy-oxo-pent-4-enylphosphanium has a molecular weight of 195.61 g/mol, XLogP of 2.95, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroethoxy-oxo-pent-4-enylphosphanium is sourced from PubChem (CID 88762016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).