[(1R,2R)-2-ethyl-2-iodocyclopropyl]methanol

C6H11IO — CID 14944096

IUPAC[(1R,2R)-2-ethyl-2-iodocyclopropyl]methanol
SMILESCC[C@@]1(I)C[C@@H]1CO
InChIInChI=1S/C6H11IO/c1-2-6(7)3-5(6)4-8/h5,8H,2-4H2,1H3/t5-,6-/m1/s1
InChIKeyXRDZHHGGSIYUSZ-PHDIDXHHSA-N
MW226.06 g/mol
LogP1.58
Rot. Bonds2

About [(1R,2R)-2-ethyl-2-iodocyclopropyl]methanol

[(1R,2R)-2-ethyl-2-iodocyclopropyl]methanol (PubChem CID 14944096) has the molecular formula C6H11IO and a molecular weight of 226.06 g/mol. Its IUPAC name is [(1R,2R)-2-ethyl-2-iodocyclopropyl]methanol.

Molecular Properties

Compound Name[(1R,2R)-2-ethyl-2-iodocyclopropyl]methanol
PubChem CID14944096
Molecular FormulaC6H11IO
Molecular Weight226.06 g/mol
Exact Mass225.99
IUPAC Name[(1R,2R)-2-ethyl-2-iodocyclopropyl]methanol
SMILESCC[C@@]1(I)C[C@@H]1CO
InChIInChI=1S/C6H11IO/c1-2-6(7)3-5(6)4-8/h5,8H,2-4H2,1H3/t5-,6-/m1/s1
InChIKeyXRDZHHGGSIYUSZ-PHDIDXHHSA-N
XLogP1.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.06
LogP ≤ 51.58
H-Bond Donors ≤ 51
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 [(1R,2R)-2-ethyl-2-iodocyclopropyl]methanol?
The IUPAC name of [(1R,2R)-2-ethyl-2-iodocyclopropyl]methanol (CID 14944096) is [(1R,2R)-2-ethyl-2-iodocyclopropyl]methanol.
What is the SMILES notation for [(1R,2R)-2-ethyl-2-iodocyclopropyl]methanol?
The canonical SMILES for [(1R,2R)-2-ethyl-2-iodocyclopropyl]methanol is CC[C@@]1(I)C[C@@H]1CO.
What is the InChIKey of [(1R,2R)-2-ethyl-2-iodocyclopropyl]methanol?
The InChIKey is XRDZHHGGSIYUSZ-PHDIDXHHSA-N. The full InChI is InChI=1S/C6H11IO/c1-2-6(7)3-5(6)4-8/h5,8H,2-4H2,1H3/t5-,6-/m1/s1.
What are the key properties of [(1R,2R)-2-ethyl-2-iodocyclopropyl]methanol?
[(1R,2R)-2-ethyl-2-iodocyclopropyl]methanol has a molecular weight of 226.06 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-ethyl-2-iodocyclopropyl]methanol is sourced from PubChem (CID 14944096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).