propyl propyliodanuidylformate

C7H14IO2- — CID 156903410

IUPACpropyl propyliodanuidylformate
SMILESCCCOC(=O)[I-]CCC
InChIInChI=1S/C7H14IO2/c1-3-5-8-7(9)10-6-4-2/h3-6H2,1-2H3/q-1
InChIKeyLLUVVIJVDIRZRB-UHFFFAOYSA-N
MW257.09 g/mol
LogP-0.97
Rot. Bonds5

About propyl propyliodanuidylformate

propyl propyliodanuidylformate (PubChem CID 156903410) has the molecular formula C7H14IO2- and a molecular weight of 257.09 g/mol. Its IUPAC name is propyl propyliodanuidylformate.

Molecular Properties

Compound Namepropyl propyliodanuidylformate
PubChem CID156903410
Molecular FormulaC7H14IO2-
Molecular Weight257.09 g/mol
Exact Mass257.00
IUPAC Namepropyl propyliodanuidylformate
SMILESCCCOC(=O)[I-]CCC
InChIInChI=1S/C7H14IO2/c1-3-5-8-7(9)10-6-4-2/h3-6H2,1-2H3/q-1
InChIKeyLLUVVIJVDIRZRB-UHFFFAOYSA-N
XLogP-0.97
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.09
LogP ≤ 5-0.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of propyl propyliodanuidylformate?
The IUPAC name of propyl propyliodanuidylformate (CID 156903410) is propyl propyliodanuidylformate.
What is the SMILES notation for propyl propyliodanuidylformate?
The canonical SMILES for propyl propyliodanuidylformate is CCCOC(=O)[I-]CCC.
What is the InChIKey of propyl propyliodanuidylformate?
The InChIKey is LLUVVIJVDIRZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14IO2/c1-3-5-8-7(9)10-6-4-2/h3-6H2,1-2H3/q-1.
What are the key properties of propyl propyliodanuidylformate?
propyl propyliodanuidylformate has a molecular weight of 257.09 g/mol, XLogP of -0.97, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propyl propyliodanuidylformate is sourced from PubChem (CID 156903410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).