propyl ethyliodanuidylformate

C6H12IO2- — CID 156903390

IUPACpropyl ethyliodanuidylformate
SMILESCCCOC(=O)[I-]CC
InChIInChI=1S/C6H12IO2/c1-3-5-9-6(8)7-4-2/h3-5H2,1-2H3/q-1
InChIKeyJJMGJSCKAQOCPO-UHFFFAOYSA-N
MW243.06 g/mol
LogP-1.36
Rot. Bonds4

About propyl ethyliodanuidylformate

propyl ethyliodanuidylformate (PubChem CID 156903390) has the molecular formula C6H12IO2- and a molecular weight of 243.06 g/mol. Its IUPAC name is propyl ethyliodanuidylformate.

Molecular Properties

Compound Namepropyl ethyliodanuidylformate
PubChem CID156903390
Molecular FormulaC6H12IO2-
Molecular Weight243.06 g/mol
Exact Mass242.99
IUPAC Namepropyl ethyliodanuidylformate
SMILESCCCOC(=O)[I-]CC
InChIInChI=1S/C6H12IO2/c1-3-5-9-6(8)7-4-2/h3-5H2,1-2H3/q-1
InChIKeyJJMGJSCKAQOCPO-UHFFFAOYSA-N
XLogP-1.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.06
LogP ≤ 5-1.36
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 ethyliodanuidylformate?
The IUPAC name of propyl ethyliodanuidylformate (CID 156903390) is propyl ethyliodanuidylformate.
What is the SMILES notation for propyl ethyliodanuidylformate?
The canonical SMILES for propyl ethyliodanuidylformate is CCCOC(=O)[I-]CC.
What is the InChIKey of propyl ethyliodanuidylformate?
The InChIKey is JJMGJSCKAQOCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12IO2/c1-3-5-9-6(8)7-4-2/h3-5H2,1-2H3/q-1.
What are the key properties of propyl ethyliodanuidylformate?
propyl ethyliodanuidylformate has a molecular weight of 243.06 g/mol, XLogP of -1.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propyl ethyliodanuidylformate is sourced from PubChem (CID 156903390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).