2-methyloxirane;molecular iodine

C3H6I2O — CID 91277313

IUPAC2-methyloxirane;molecular iodine
SMILESCC1CO1.II
InChIInChI=1S/C3H6O.I2/c1-3-2-4-3;1-2/h3H,2H2,1H3;
InChIKeyUTRXWMZMLZYNNC-UHFFFAOYSA-N
MW311.89 g/mol
LogP2.18
Rot. Bonds

About 2-methyloxirane;molecular iodine

2-methyloxirane;molecular iodine (PubChem CID 91277313) has the molecular formula C3H6I2O and a molecular weight of 311.89 g/mol. Its IUPAC name is 2-methyloxirane;molecular iodine.

Molecular Properties

Compound Name2-methyloxirane;molecular iodine
PubChem CID91277313
Molecular FormulaC3H6I2O
Molecular Weight311.89 g/mol
Exact Mass311.85
IUPAC Name2-methyloxirane;molecular iodine
SMILESCC1CO1.II
InChIInChI=1S/C3H6O.I2/c1-3-2-4-3;1-2/h3H,2H2,1H3;
InChIKeyUTRXWMZMLZYNNC-UHFFFAOYSA-N
XLogP2.18
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.89
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-methyloxirane;molecular iodine?
The IUPAC name of 2-methyloxirane;molecular iodine (CID 91277313) is 2-methyloxirane;molecular iodine.
What is the SMILES notation for 2-methyloxirane;molecular iodine?
The canonical SMILES for 2-methyloxirane;molecular iodine is CC1CO1.II.
What is the InChIKey of 2-methyloxirane;molecular iodine?
The InChIKey is UTRXWMZMLZYNNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O.I2/c1-3-2-4-3;1-2/h3H,2H2,1H3;.
What are the key properties of 2-methyloxirane;molecular iodine?
2-methyloxirane;molecular iodine has a molecular weight of 311.89 g/mol, XLogP of 2.18, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyloxirane;molecular iodine is sourced from PubChem (CID 91277313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).