4-iodo-2-[(2-iodocyclopentyl)methyl]-5-methyloxane

C12H20I2O — CID 155441799

IUPAC4-iodo-2-[(2-iodocyclopentyl)methyl]-5-methyloxane
SMILESCC1COC(CC2CCCC2I)CC1I
InChIInChI=1S/C12H20I2O/c1-8-7-15-10(6-12(8)14)5-9-3-2-4-11(9)13/h8-12H,2-7H2,1H3
InChIKeyQPIIJZYUWYXIIM-UHFFFAOYSA-N
MW434.10 g/mol
LogP4.21
Rot. Bonds2

About 4-iodo-2-[(2-iodocyclopentyl)methyl]-5-methyloxane

4-iodo-2-[(2-iodocyclopentyl)methyl]-5-methyloxane (PubChem CID 155441799) has the molecular formula C12H20I2O and a molecular weight of 434.10 g/mol. Its IUPAC name is 4-iodo-2-[(2-iodocyclopentyl)methyl]-5-methyloxane.

Molecular Properties

Compound Name4-iodo-2-[(2-iodocyclopentyl)methyl]-5-methyloxane
PubChem CID155441799
Molecular FormulaC12H20I2O
Molecular Weight434.10 g/mol
Exact Mass433.96
IUPAC Name4-iodo-2-[(2-iodocyclopentyl)methyl]-5-methyloxane
SMILESCC1COC(CC2CCCC2I)CC1I
InChIInChI=1S/C12H20I2O/c1-8-7-15-10(6-12(8)14)5-9-3-2-4-11(9)13/h8-12H,2-7H2,1H3
InChIKeyQPIIJZYUWYXIIM-UHFFFAOYSA-N
XLogP4.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.10
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 4-iodo-2-[(2-iodocyclopentyl)methyl]-5-methyloxane?
The IUPAC name of 4-iodo-2-[(2-iodocyclopentyl)methyl]-5-methyloxane (CID 155441799) is 4-iodo-2-[(2-iodocyclopentyl)methyl]-5-methyloxane.
What is the SMILES notation for 4-iodo-2-[(2-iodocyclopentyl)methyl]-5-methyloxane?
The canonical SMILES for 4-iodo-2-[(2-iodocyclopentyl)methyl]-5-methyloxane is CC1COC(CC2CCCC2I)CC1I.
What is the InChIKey of 4-iodo-2-[(2-iodocyclopentyl)methyl]-5-methyloxane?
The InChIKey is QPIIJZYUWYXIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20I2O/c1-8-7-15-10(6-12(8)14)5-9-3-2-4-11(9)13/h8-12H,2-7H2,1H3.
What are the key properties of 4-iodo-2-[(2-iodocyclopentyl)methyl]-5-methyloxane?
4-iodo-2-[(2-iodocyclopentyl)methyl]-5-methyloxane has a molecular weight of 434.10 g/mol, XLogP of 4.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-2-[(2-iodocyclopentyl)methyl]-5-methyloxane is sourced from PubChem (CID 155441799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).