(2S)-2-(iodomethyl)oxolane

C5H9IO — CID 36689200

IUPAC(2S)-2-(iodomethyl)oxolane
SMILESIC[C@@H]1CCCO1
InChIInChI=1S/C5H9IO/c6-4-5-2-1-3-7-5/h5H,1-4H2/t5-/m0/s1
InChIKeyBMZJORGYEOQMFR-YFKPBYRVSA-N
MW212.03 g/mol
LogP1.60
Rot. Bonds1

About (2S)-2-(iodomethyl)oxolane

(2S)-2-(iodomethyl)oxolane (PubChem CID 36689200) has the molecular formula C5H9IO and a molecular weight of 212.03 g/mol. Its IUPAC name is (2S)-2-(iodomethyl)oxolane.

Molecular Properties

Compound Name(2S)-2-(iodomethyl)oxolane
PubChem CID36689200
Molecular FormulaC5H9IO
Molecular Weight212.03 g/mol
Exact Mass211.97
IUPAC Name(2S)-2-(iodomethyl)oxolane
SMILESIC[C@@H]1CCCO1
InChIInChI=1S/C5H9IO/c6-4-5-2-1-3-7-5/h5H,1-4H2/t5-/m0/s1
InChIKeyBMZJORGYEOQMFR-YFKPBYRVSA-N
XLogP1.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.03
LogP ≤ 51.60
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)-2-(iodomethyl)oxolane?
The IUPAC name of (2S)-2-(iodomethyl)oxolane (CID 36689200) is (2S)-2-(iodomethyl)oxolane.
What is the SMILES notation for (2S)-2-(iodomethyl)oxolane?
The canonical SMILES for (2S)-2-(iodomethyl)oxolane is IC[C@@H]1CCCO1.
What is the InChIKey of (2S)-2-(iodomethyl)oxolane?
The InChIKey is BMZJORGYEOQMFR-YFKPBYRVSA-N. The full InChI is InChI=1S/C5H9IO/c6-4-5-2-1-3-7-5/h5H,1-4H2/t5-/m0/s1.
What are the key properties of (2S)-2-(iodomethyl)oxolane?
(2S)-2-(iodomethyl)oxolane has a molecular weight of 212.03 g/mol, XLogP of 1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(iodomethyl)oxolane is sourced from PubChem (CID 36689200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).