(2S,3S)-2-ethyl-3-iodooxolane

C6H11IO — CID 639468

IUPAC(2S,3S)-2-ethyl-3-iodooxolane
SMILESCC[C@@H]1OCC[C@@H]1I
InChIInChI=1S/C6H11IO/c1-2-6-5(7)3-4-8-6/h5-6H,2-4H2,1H3/t5-,6-/m0/s1
InChIKeyRURJVTFCDGULMA-WDSKDSINSA-N
MW226.06 g/mol
LogP1.99
Rot. Bonds1

About (2S,3S)-2-ethyl-3-iodooxolane

(2S,3S)-2-ethyl-3-iodooxolane (PubChem CID 639468) has the molecular formula C6H11IO and a molecular weight of 226.06 g/mol. Its IUPAC name is (2S,3S)-2-ethyl-3-iodooxolane.

Molecular Properties

Compound Name(2S,3S)-2-ethyl-3-iodooxolane
PubChem CID639468
Molecular FormulaC6H11IO
Molecular Weight226.06 g/mol
Exact Mass225.99
IUPAC Name(2S,3S)-2-ethyl-3-iodooxolane
SMILESCC[C@@H]1OCC[C@@H]1I
InChIInChI=1S/C6H11IO/c1-2-6-5(7)3-4-8-6/h5-6H,2-4H2,1H3/t5-,6-/m0/s1
InChIKeyRURJVTFCDGULMA-WDSKDSINSA-N
XLogP1.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.06
LogP ≤ 51.99
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 (2S,3S)-2-ethyl-3-iodooxolane?
The IUPAC name of (2S,3S)-2-ethyl-3-iodooxolane (CID 639468) is (2S,3S)-2-ethyl-3-iodooxolane.
What is the SMILES notation for (2S,3S)-2-ethyl-3-iodooxolane?
The canonical SMILES for (2S,3S)-2-ethyl-3-iodooxolane is CC[C@@H]1OCC[C@@H]1I.
What is the InChIKey of (2S,3S)-2-ethyl-3-iodooxolane?
The InChIKey is RURJVTFCDGULMA-WDSKDSINSA-N. The full InChI is InChI=1S/C6H11IO/c1-2-6-5(7)3-4-8-6/h5-6H,2-4H2,1H3/t5-,6-/m0/s1.
What are the key properties of (2S,3S)-2-ethyl-3-iodooxolane?
(2S,3S)-2-ethyl-3-iodooxolane has a molecular weight of 226.06 g/mol, XLogP of 1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-ethyl-3-iodooxolane is sourced from PubChem (CID 639468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).