molecular iodine;2-(oxiran-2-ylmethyl)oxirane

C5H8I2O2 — CID 161164206

IUPACmolecular iodine;2-(oxiran-2-ylmethyl)oxirane
SMILESC1OC1CC1CO1.II
InChIInChI=1S/C5H8O2.I2/c1(4-2-6-4)5-3-7-5;1-2/h4-5H,1-3H2;
InChIKeyUQHUAEKTRHXMNF-UHFFFAOYSA-N
MW353.93 g/mol
LogP1.95
Rot. Bonds2

About molecular iodine;2-(oxiran-2-ylmethyl)oxirane

molecular iodine;2-(oxiran-2-ylmethyl)oxirane (PubChem CID 161164206) has the molecular formula C5H8I2O2 and a molecular weight of 353.93 g/mol. Its IUPAC name is molecular iodine;2-(oxiran-2-ylmethyl)oxirane.

Molecular Properties

Compound Namemolecular iodine;2-(oxiran-2-ylmethyl)oxirane
PubChem CID161164206
Molecular FormulaC5H8I2O2
Molecular Weight353.93 g/mol
Exact Mass353.86
IUPAC Namemolecular iodine;2-(oxiran-2-ylmethyl)oxirane
SMILESC1OC1CC1CO1.II
InChIInChI=1S/C5H8O2.I2/c1(4-2-6-4)5-3-7-5;1-2/h4-5H,1-3H2;
InChIKeyUQHUAEKTRHXMNF-UHFFFAOYSA-N
XLogP1.95
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.93
LogP ≤ 51.95
H-Bond Donors ≤ 50
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;2-(oxiran-2-ylmethyl)oxirane?
The IUPAC name of molecular iodine;2-(oxiran-2-ylmethyl)oxirane (CID 161164206) is molecular iodine;2-(oxiran-2-ylmethyl)oxirane.
What is the SMILES notation for molecular iodine;2-(oxiran-2-ylmethyl)oxirane?
The canonical SMILES for molecular iodine;2-(oxiran-2-ylmethyl)oxirane is C1OC1CC1CO1.II.
What is the InChIKey of molecular iodine;2-(oxiran-2-ylmethyl)oxirane?
The InChIKey is UQHUAEKTRHXMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2.I2/c1(4-2-6-4)5-3-7-5;1-2/h4-5H,1-3H2;.
What are the key properties of molecular iodine;2-(oxiran-2-ylmethyl)oxirane?
molecular iodine;2-(oxiran-2-ylmethyl)oxirane has a molecular weight of 353.93 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for molecular iodine;2-(oxiran-2-ylmethyl)oxirane is sourced from PubChem (CID 161164206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).