1-(2-cyclopropyl-2-ethoxyethoxy)-2-iodocyclopentane

C12H21IO2 — CID 165489762

IUPAC1-(2-cyclopropyl-2-ethoxyethoxy)-2-iodocyclopentane
SMILESCCOC(COC1CCCC1I)C1CC1
InChIInChI=1S/C12H21IO2/c1-2-14-12(9-6-7-9)8-15-11-5-3-4-10(11)13/h9-12H,2-8H2,1H3
InChIKeyLIFGDRRNDDALBQ-UHFFFAOYSA-N
MW324.20 g/mol
LogP3.17
Rot. Bonds6

About 1-(2-cyclopropyl-2-ethoxyethoxy)-2-iodocyclopentane

1-(2-cyclopropyl-2-ethoxyethoxy)-2-iodocyclopentane (PubChem CID 165489762) has the molecular formula C12H21IO2 and a molecular weight of 324.20 g/mol. Its IUPAC name is 1-(2-cyclopropyl-2-ethoxyethoxy)-2-iodocyclopentane.

Molecular Properties

Compound Name1-(2-cyclopropyl-2-ethoxyethoxy)-2-iodocyclopentane
PubChem CID165489762
Molecular FormulaC12H21IO2
Molecular Weight324.20 g/mol
Exact Mass324.06
IUPAC Name1-(2-cyclopropyl-2-ethoxyethoxy)-2-iodocyclopentane
SMILESCCOC(COC1CCCC1I)C1CC1
InChIInChI=1S/C12H21IO2/c1-2-14-12(9-6-7-9)8-15-11-5-3-4-10(11)13/h9-12H,2-8H2,1H3
InChIKeyLIFGDRRNDDALBQ-UHFFFAOYSA-N
XLogP3.17
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.20
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 1-(2-cyclopropyl-2-ethoxyethoxy)-2-iodocyclopentane?
The IUPAC name of 1-(2-cyclopropyl-2-ethoxyethoxy)-2-iodocyclopentane (CID 165489762) is 1-(2-cyclopropyl-2-ethoxyethoxy)-2-iodocyclopentane.
What is the SMILES notation for 1-(2-cyclopropyl-2-ethoxyethoxy)-2-iodocyclopentane?
The canonical SMILES for 1-(2-cyclopropyl-2-ethoxyethoxy)-2-iodocyclopentane is CCOC(COC1CCCC1I)C1CC1.
What is the InChIKey of 1-(2-cyclopropyl-2-ethoxyethoxy)-2-iodocyclopentane?
The InChIKey is LIFGDRRNDDALBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21IO2/c1-2-14-12(9-6-7-9)8-15-11-5-3-4-10(11)13/h9-12H,2-8H2,1H3.
What are the key properties of 1-(2-cyclopropyl-2-ethoxyethoxy)-2-iodocyclopentane?
1-(2-cyclopropyl-2-ethoxyethoxy)-2-iodocyclopentane has a molecular weight of 324.20 g/mol, XLogP of 3.17, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyl-2-ethoxyethoxy)-2-iodocyclopentane is sourced from PubChem (CID 165489762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).