methane;molecular iodine;oxirane

C3H8I2O — CID 158188645

IUPACmethane;molecular iodine;oxirane
SMILESC.C1CO1.II
InChIInChI=1S/C2H4O.CH4.I2/c1-2-3-1;;1-2/h1-2H2;1H4;
InChIKeyFZLTXECCGJCHRP-UHFFFAOYSA-N
MW313.90 g/mol
LogP2.42
Rot. Bonds

About methane;molecular iodine;oxirane

methane;molecular iodine;oxirane (PubChem CID 158188645) has the molecular formula C3H8I2O and a molecular weight of 313.90 g/mol. Its IUPAC name is methane;molecular iodine;oxirane.

Molecular Properties

Compound Namemethane;molecular iodine;oxirane
PubChem CID158188645
Molecular FormulaC3H8I2O
Molecular Weight313.90 g/mol
Exact Mass313.87
IUPAC Namemethane;molecular iodine;oxirane
SMILESC.C1CO1.II
InChIInChI=1S/C2H4O.CH4.I2/c1-2-3-1;;1-2/h1-2H2;1H4;
InChIKeyFZLTXECCGJCHRP-UHFFFAOYSA-N
XLogP2.42
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.90
LogP ≤ 52.42
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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Frequently Asked Questions

What is the IUPAC name of methane;molecular iodine;oxirane?
The IUPAC name of methane;molecular iodine;oxirane (CID 158188645) is methane;molecular iodine;oxirane.
What is the SMILES notation for methane;molecular iodine;oxirane?
The canonical SMILES for methane;molecular iodine;oxirane is C.C1CO1.II.
What is the InChIKey of methane;molecular iodine;oxirane?
The InChIKey is FZLTXECCGJCHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O.CH4.I2/c1-2-3-1;;1-2/h1-2H2;1H4;.
What are the key properties of methane;molecular iodine;oxirane?
methane;molecular iodine;oxirane has a molecular weight of 313.90 g/mol, XLogP of 2.42, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methane;molecular iodine;oxirane is sourced from PubChem (CID 158188645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).