molecular iodine;oxiran-2-ylmethanol

C3H6I2O2 — CID 159687317

IUPACmolecular iodine;oxiran-2-ylmethanol
SMILESII.OCC1CO1
InChIInChI=1S/C3H6O2.I2/c4-1-3-2-5-3;1-2/h3-4H,1-2H2;
InChIKeyMVYQEHANPKPGJL-UHFFFAOYSA-N
MW327.89 g/mol
LogP1.15
Rot. Bonds1

About molecular iodine;oxiran-2-ylmethanol

molecular iodine;oxiran-2-ylmethanol (PubChem CID 159687317) has the molecular formula C3H6I2O2 and a molecular weight of 327.89 g/mol. Its IUPAC name is molecular iodine;oxiran-2-ylmethanol.

Molecular Properties

Compound Namemolecular iodine;oxiran-2-ylmethanol
PubChem CID159687317
Molecular FormulaC3H6I2O2
Molecular Weight327.89 g/mol
Exact Mass327.85
IUPAC Namemolecular iodine;oxiran-2-ylmethanol
SMILESII.OCC1CO1
InChIInChI=1S/C3H6O2.I2/c4-1-3-2-5-3;1-2/h3-4H,1-2H2;
InChIKeyMVYQEHANPKPGJL-UHFFFAOYSA-N
XLogP1.15
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.89
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of molecular iodine;oxiran-2-ylmethanol?
The IUPAC name of molecular iodine;oxiran-2-ylmethanol (CID 159687317) is molecular iodine;oxiran-2-ylmethanol.
What is the SMILES notation for molecular iodine;oxiran-2-ylmethanol?
The canonical SMILES for molecular iodine;oxiran-2-ylmethanol is II.OCC1CO1.
What is the InChIKey of molecular iodine;oxiran-2-ylmethanol?
The InChIKey is MVYQEHANPKPGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O2.I2/c4-1-3-2-5-3;1-2/h3-4H,1-2H2;.
What are the key properties of molecular iodine;oxiran-2-ylmethanol?
molecular iodine;oxiran-2-ylmethanol has a molecular weight of 327.89 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for molecular iodine;oxiran-2-ylmethanol is sourced from PubChem (CID 159687317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).