ethanol;methane;molecular iodine

C6H20I2O2 — CID 158632619

IUPACethanol;methane;molecular iodine
SMILESC.C.CCO.CCO.II
InChIInChI=1S/2C2H6O.2CH4.I2/c2*1-2-3;;;1-2/h2*3H,2H2,1H3;2*1H4;
InChIKeyHZJOALUFJZRQQE-UHFFFAOYSA-N
MW378.03 g/mol
LogP3.04
Rot. Bonds

About ethanol;methane;molecular iodine

ethanol;methane;molecular iodine (PubChem CID 158632619) has the molecular formula C6H20I2O2 and a molecular weight of 378.03 g/mol. Its IUPAC name is ethanol;methane;molecular iodine.

Molecular Properties

Compound Nameethanol;methane;molecular iodine
PubChem CID158632619
Molecular FormulaC6H20I2O2
Molecular Weight378.03 g/mol
Exact Mass377.96
IUPAC Nameethanol;methane;molecular iodine
SMILESC.C.CCO.CCO.II
InChIInChI=1S/2C2H6O.2CH4.I2/c2*1-2-3;;;1-2/h2*3H,2H2,1H3;2*1H4;
InChIKeyHZJOALUFJZRQQE-UHFFFAOYSA-N
XLogP3.04
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.03
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 158632619) 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.C.CCO.CCO.II.
What is the InChIKey of ethanol;methane;molecular iodine?
The InChIKey is HZJOALUFJZRQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2H6O.2CH4.I2/c2*1-2-3;;;1-2/h2*3H,2H2,1H3;2*1H4;.
What are the key properties of ethanol;methane;molecular iodine?
ethanol;methane;molecular iodine has a molecular weight of 378.03 g/mol, XLogP of 3.04, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;methane;molecular iodine is sourced from PubChem (CID 158632619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).