ethanol;methane;molecular iodine

C3H10I2O — CID 160622890

IUPACethanol;methane;molecular iodine
SMILESC.CCO.II
InChIInChI=1S/C2H6O.CH4.I2/c1-2-3;;1-2/h3H,2H2,1H3;1H4;
InChIKeyRGXVBONHHGQSPI-UHFFFAOYSA-N
MW315.92 g/mol
LogP2.41
Rot. Bonds

About ethanol;methane;molecular iodine

ethanol;methane;molecular iodine (PubChem CID 160622890) has the molecular formula C3H10I2O and a molecular weight of 315.92 g/mol. Its IUPAC name is ethanol;methane;molecular iodine.

Molecular Properties

Compound Nameethanol;methane;molecular iodine
PubChem CID160622890
Molecular FormulaC3H10I2O
Molecular Weight315.92 g/mol
Exact Mass315.88
IUPAC Nameethanol;methane;molecular iodine
SMILESC.CCO.II
InChIInChI=1S/C2H6O.CH4.I2/c1-2-3;;1-2/h3H,2H2,1H3;1H4;
InChIKeyRGXVBONHHGQSPI-UHFFFAOYSA-N
XLogP2.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.92
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethanol;methane;molecular iodine?
The IUPAC name of ethanol;methane;molecular iodine (CID 160622890) is ethanol;methane;molecular iodine.
What is the SMILES notation for ethanol;methane;molecular iodine?
The canonical SMILES for ethanol;methane;molecular iodine is C.CCO.II.
What is the InChIKey of ethanol;methane;molecular iodine?
The InChIKey is RGXVBONHHGQSPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O.CH4.I2/c1-2-3;;1-2/h3H,2H2,1H3;1H4;.
What are the key properties of ethanol;methane;molecular iodine?
ethanol;methane;molecular iodine has a molecular weight of 315.92 g/mol, XLogP of 2.41, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;methane;molecular iodine is sourced from PubChem (CID 160622890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).