propyl [ethyl(methyl)-λ3-iodanyl]formate

C7H15IO2 — CID 89001635

IUPACpropyl [ethyl(methyl)-λ3-iodanyl]formate
SMILESCCCOC(=O)I(C)CC
InChIInChI=1S/C7H15IO2/c1-4-6-10-7(9)8(3)5-2/h4-6H2,1-3H3
InChIKeyWQFZDHPGHZYFBI-UHFFFAOYSA-N
MW258.10 g/mol
LogP2.69
Rot. Bonds4

About propyl [ethyl(methyl)-λ3-iodanyl]formate

propyl [ethyl(methyl)-λ3-iodanyl]formate (PubChem CID 89001635) has the molecular formula C7H15IO2 and a molecular weight of 258.10 g/mol. Its IUPAC name is propyl [ethyl(methyl)-λ3-iodanyl]formate.

Molecular Properties

Compound Namepropyl [ethyl(methyl)-λ3-iodanyl]formate
PubChem CID89001635
Molecular FormulaC7H15IO2
Molecular Weight258.10 g/mol
Exact Mass258.01
IUPAC Namepropyl [ethyl(methyl)-λ3-iodanyl]formate
SMILESCCCOC(=O)I(C)CC
InChIInChI=1S/C7H15IO2/c1-4-6-10-7(9)8(3)5-2/h4-6H2,1-3H3
InChIKeyWQFZDHPGHZYFBI-UHFFFAOYSA-N
XLogP2.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.10
LogP ≤ 52.69
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 [ethyl(methyl)-λ3-iodanyl]formate?
The IUPAC name of propyl [ethyl(methyl)-λ3-iodanyl]formate (CID 89001635) is propyl [ethyl(methyl)-λ3-iodanyl]formate.
What is the SMILES notation for propyl [ethyl(methyl)-λ3-iodanyl]formate?
The canonical SMILES for propyl [ethyl(methyl)-λ3-iodanyl]formate is CCCOC(=O)I(C)CC.
What is the InChIKey of propyl [ethyl(methyl)-λ3-iodanyl]formate?
The InChIKey is WQFZDHPGHZYFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15IO2/c1-4-6-10-7(9)8(3)5-2/h4-6H2,1-3H3.
What are the key properties of propyl [ethyl(methyl)-λ3-iodanyl]formate?
propyl [ethyl(methyl)-λ3-iodanyl]formate has a molecular weight of 258.10 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propyl [ethyl(methyl)-λ3-iodanyl]formate is sourced from PubChem (CID 89001635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).