(3S,5R)-5-(iodomethyl)oxolan-3-ol

C5H9IO2 — CID 67649805

IUPAC(3S,5R)-5-(iodomethyl)oxolan-3-ol
SMILESO[C@@H]1CO[C@@H](CI)C1
InChIInChI=1S/C5H9IO2/c6-2-5-1-4(7)3-8-5/h4-5,7H,1-3H2/t4-,5+/m0/s1
InChIKeyCQIXHAQHLCXRQQ-CRCLSJGQSA-N
MW228.03 g/mol
LogP0.57
Rot. Bonds1

About (3S,5R)-5-(iodomethyl)oxolan-3-ol

(3S,5R)-5-(iodomethyl)oxolan-3-ol (PubChem CID 67649805) has the molecular formula C5H9IO2 and a molecular weight of 228.03 g/mol. Its IUPAC name is (3S,5R)-5-(iodomethyl)oxolan-3-ol.

Molecular Properties

Compound Name(3S,5R)-5-(iodomethyl)oxolan-3-ol
PubChem CID67649805
Molecular FormulaC5H9IO2
Molecular Weight228.03 g/mol
Exact Mass227.96
IUPAC Name(3S,5R)-5-(iodomethyl)oxolan-3-ol
SMILESO[C@@H]1CO[C@@H](CI)C1
InChIInChI=1S/C5H9IO2/c6-2-5-1-4(7)3-8-5/h4-5,7H,1-3H2/t4-,5+/m0/s1
InChIKeyCQIXHAQHLCXRQQ-CRCLSJGQSA-N
XLogP0.57
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.03
LogP ≤ 50.57
H-Bond Donors ≤ 51
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 (3S,5R)-5-(iodomethyl)oxolan-3-ol?
The IUPAC name of (3S,5R)-5-(iodomethyl)oxolan-3-ol (CID 67649805) is (3S,5R)-5-(iodomethyl)oxolan-3-ol.
What is the SMILES notation for (3S,5R)-5-(iodomethyl)oxolan-3-ol?
The canonical SMILES for (3S,5R)-5-(iodomethyl)oxolan-3-ol is O[C@@H]1CO[C@@H](CI)C1.
What is the InChIKey of (3S,5R)-5-(iodomethyl)oxolan-3-ol?
The InChIKey is CQIXHAQHLCXRQQ-CRCLSJGQSA-N. The full InChI is InChI=1S/C5H9IO2/c6-2-5-1-4(7)3-8-5/h4-5,7H,1-3H2/t4-,5+/m0/s1.
What are the key properties of (3S,5R)-5-(iodomethyl)oxolan-3-ol?
(3S,5R)-5-(iodomethyl)oxolan-3-ol has a molecular weight of 228.03 g/mol, XLogP of 0.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-5-(iodomethyl)oxolan-3-ol is sourced from PubChem (CID 67649805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).