diethyl (2-iodocyclopenten-1-yl) phosphate

C9H16IO4P — CID 46854114

IUPACdiethyl (2-iodocyclopenten-1-yl) phosphate
SMILESCCOP(=O)(OCC)OC1=C(I)CCC1
InChIInChI=1S/C9H16IO4P/c1-3-12-15(11,13-4-2)14-9-7-5-6-8(9)10/h3-7H2,1-2H3
InChIKeyWQWKCLOAWPOQBM-UHFFFAOYSA-N
MW346.10 g/mol
LogP4.01
Rot. Bonds6

About diethyl (2-iodocyclopenten-1-yl) phosphate

diethyl (2-iodocyclopenten-1-yl) phosphate (PubChem CID 46854114) has the molecular formula C9H16IO4P and a molecular weight of 346.10 g/mol. Its IUPAC name is diethyl (2-iodocyclopenten-1-yl) phosphate.

Molecular Properties

Compound Namediethyl (2-iodocyclopenten-1-yl) phosphate
PubChem CID46854114
Molecular FormulaC9H16IO4P
Molecular Weight346.10 g/mol
Exact Mass345.98
IUPAC Namediethyl (2-iodocyclopenten-1-yl) phosphate
SMILESCCOP(=O)(OCC)OC1=C(I)CCC1
InChIInChI=1S/C9H16IO4P/c1-3-12-15(11,13-4-2)14-9-7-5-6-8(9)10/h3-7H2,1-2H3
InChIKeyWQWKCLOAWPOQBM-UHFFFAOYSA-N
XLogP4.01
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.10
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-Diethoxyphosphoryl-2-methoxycyclopentene
CID 10561648
1-Cyclopenten-1-yl diethyl phosphate
CID 11063950
diethyl [(1S)-2-iodo-3-methylcyclopent-2-en-1-yl] phosphate
CID 16069322

Frequently Asked Questions

What is the IUPAC name of diethyl (2-iodocyclopenten-1-yl) phosphate?
The IUPAC name of diethyl (2-iodocyclopenten-1-yl) phosphate (CID 46854114) is diethyl (2-iodocyclopenten-1-yl) phosphate.
What is the SMILES notation for diethyl (2-iodocyclopenten-1-yl) phosphate?
The canonical SMILES for diethyl (2-iodocyclopenten-1-yl) phosphate is CCOP(=O)(OCC)OC1=C(I)CCC1.
What is the InChIKey of diethyl (2-iodocyclopenten-1-yl) phosphate?
The InChIKey is WQWKCLOAWPOQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16IO4P/c1-3-12-15(11,13-4-2)14-9-7-5-6-8(9)10/h3-7H2,1-2H3.
What are the key properties of diethyl (2-iodocyclopenten-1-yl) phosphate?
diethyl (2-iodocyclopenten-1-yl) phosphate has a molecular weight of 346.10 g/mol, XLogP of 4.01, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl (2-iodocyclopenten-1-yl) phosphate is sourced from PubChem (CID 46854114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).